5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine

C136H210N24O9 — CID 161098687

IUPAC5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
SMILESC#Cc1ccnc(OCCC(C)(C)C)n1.C#Cc1cnc(OCCC(C)(C)C)nc1.CC(C)(C)CC(=O)N1CCN(c2ncccn2)CC1.CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CCOc1nccc(-c2noc(C3CC3)n2)n1.CC(C)(C)CCOc1ncccn1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCn1cccc1.CC(C)(C)CCn1cccn1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(CC(C)(C)C)n1cccn1
InChIInChI=1S/C15H20N4O2.C14H22N4O.C13H22N2O.2C12H16N2O.C12H18.C10H16N2O.C10H18N2.C10H15NO.C10H17N.C9H14N2O.C9H16N2/c1-15(2,3)7-9-20-14-16-8-6-11(17-14)12-18-13(21-19-12)10-4-5-10;1-14(2,3)11-12(19)17-7-9-18(10-8-17)13-15-5-4-6-16-13;1-12(2,3)9-13(4,5)10-16-11-14-7-6-8-15-11;1-5-10-6-8-13-11(14-10)15-9-7-12(2,3)4;1-5-10-8-13-11(14-9-10)15-7-6-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-9(8-10(2,3)4)12-7-5-6-11-12;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)12-7-8-10-5-4-6-11-8;1-9(2,3)5-8-11-7-4-6-10-11/h6,8,10H,4-5,7,9H2,1-3H3;4-6H,7-11H2,1-3H3;6-8H,9-10H2,1-5H3;1,6,8H,7,9H2,2-4H3;1,8-9H,6-7H2,2-4H3;4-8H,9-10H2,1-3H3;4,6-7H,5,8H2,1-3H3;5-7,9H,8H2,1-4H3;4-7H,8H2,1-3H3;4-5,7-8H,6,9H2,1-3H3;4-6H,7H2,1-3H3;4,6-7H,5,8H2,1-3H3
InChIKeyUIDFFNHIRVIEHF-UHFFFAOYSA-N
MW2325.33 g/mol
LogP30.91
Rot. Bonds32

About 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine

5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (PubChem CID 161098687) has the molecular formula C136H210N24O9 and a molecular weight of 2325.33 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
PubChem CID161098687
Molecular FormulaC136H210N24O9
Molecular Weight2325.33 g/mol
Exact Mass2323.67
IUPAC Name5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
SMILESC#Cc1ccnc(OCCC(C)(C)C)n1.C#Cc1cnc(OCCC(C)(C)C)nc1.CC(C)(C)CC(=O)N1CCN(c2ncccn2)CC1.CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CCOc1nccc(-c2noc(C3CC3)n2)n1.CC(C)(C)CCOc1ncccn1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCn1cccc1.CC(C)(C)CCn1cccn1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(CC(C)(C)C)n1cccn1
InChIInChI=1S/C15H20N4O2.C14H22N4O.C13H22N2O.2C12H16N2O.C12H18.C10H16N2O.C10H18N2.C10H15NO.C10H17N.C9H14N2O.C9H16N2/c1-15(2,3)7-9-20-14-16-8-6-11(17-14)12-18-13(21-19-12)10-4-5-10;1-14(2,3)11-12(19)17-7-9-18(10-8-17)13-15-5-4-6-16-13;1-12(2,3)9-13(4,5)10-16-11-14-7-6-8-15-11;1-5-10-6-8-13-11(14-10)15-9-7-12(2,3)4;1-5-10-8-13-11(14-9-10)15-7-6-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-9(8-10(2,3)4)12-7-5-6-11-12;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)12-7-8-10-5-4-6-11-8;1-9(2,3)5-8-11-7-4-6-10-11/h6,8,10H,4-5,7,9H2,1-3H3;4-6H,7-11H2,1-3H3;6-8H,9-10H2,1-5H3;1,6,8H,7,9H2,2-4H3;1,8-9H,6-7H2,2-4H3;4-8H,9-10H2,1-3H3;4,6-7H,5,8H2,1-3H3;5-7,9H,8H2,1-4H3;4-7H,8H2,1-3H3;4-5,7-8H,6,9H2,1-3H3;4-6H,7H2,1-3H3;4,6-7H,5,8H2,1-3H3
InChIKeyUIDFFNHIRVIEHF-UHFFFAOYSA-N
XLogP30.91
TPSA361.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.33
LogP ≤ 530.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine with MolForge

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Related Compounds

5-Cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
CID 157144835
5-Cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
CID 160264819
5-Cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrrole;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
CID 160464459
5-Cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrrole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
CID 161925846
5-Cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
CID 161994221
5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine-3-carbonitrile;4-tert-butyl-1,3,5-trimethylpyrazole
CID 163869276

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
The IUPAC name of 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (CID 161098687) is 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.
What is the SMILES notation for 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
The canonical SMILES for 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is C#Cc1ccnc(OCCC(C)(C)C)n1.C#Cc1cnc(OCCC(C)(C)C)nc1.CC(C)(C)CC(=O)N1CCN(c2ncccn2)CC1.CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CCOc1nccc(-c2noc(C3CC3)n2)n1.CC(C)(C)CCOc1ncccn1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCn1cccc1.CC(C)(C)CCn1cccn1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(CC(C)(C)C)n1cccn1.
What is the InChIKey of 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
The InChIKey is UIDFFNHIRVIEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C14H22N4O.C13H22N2O.2C12H16N2O.C12H18.C10H16N2O.C10H18N2.C10H15NO.C10H17N.C9H14N2O.C9H16N2/c1-15(2,3)7-9-20-14-16-8-6-11(17-14)12-18-13(21-19-12)10-4-5-10;1-14(2,3)11-12(19)17-7-9-18(10-8-17)13-15-5-4-6-16-13;1-12(2,3)9-13(4,5)10-16-11-14-7-6-8-15-11;1-5-10-6-8-13-11(14-10)15-9-7-12(2,3)4;1-5-10-8-13-11(14-9-10)15-7-6-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-9(8-10(2,3)4)12-7-5-6-11-12;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)12-7-8-10-5-4-6-11-8;1-9(2,3)5-8-11-7-4-6-10-11/h6,8,10H,4-5,7,9H2,1-3H3;4-6H,7-11H2,1-3H3;6-8H,9-10H2,1-5H3;1,6,8H,7,9H2,2-4H3;1,8-9H,6-7H2,2-4H3;4-8H,9-10H2,1-3H3;4,6-7H,5,8H2,1-3H3;5-7,9H,8H2,1-4H3;4-7H,8H2,1-3H3;4-5,7-8H,6,9H2,1-3H3;4-6H,7H2,1-3H3;4,6-7H,5,8H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine has a molecular weight of 2325.33 g/mol, XLogP of 30.91, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is sourced from PubChem (CID 161098687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).