2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine

C118H152F2N16O2 — CID 158827398

IUPAC2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
SMILESC.C.C=CCC(C)C.CC(=O)C(C)C.CC(C)C#Cc1ncccn1.CC(C)C1=CCC=C1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H14N2O.C11H12N4.C9H10N2.C8H12N2.C8H12.C6H12.C5H10O.2CH4/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)4-5-9-10-6-3-7-11-9;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-4(2)5(3)6;;/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3,6-8H,1-2H3;4-6H,1-3H3;3,5-7H,4H2,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*1H4
InChIKeyIWPVQJKHMOKLAN-UHFFFAOYSA-N
MW1864.62 g/mol
LogP31.35
Rot. Bonds17

About 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine

2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine (PubChem CID 158827398) has the molecular formula C118H152F2N16O2 and a molecular weight of 1864.62 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
PubChem CID158827398
Molecular FormulaC118H152F2N16O2
Molecular Weight1864.62 g/mol
Exact Mass1863.23
IUPAC Name2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
SMILESC.C.C=CCC(C)C.CC(=O)C(C)C.CC(C)C#Cc1ncccn1.CC(C)C1=CCC=C1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H14N2O.C11H12N4.C9H10N2.C8H12N2.C8H12.C6H12.C5H10O.2CH4/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)4-5-9-10-6-3-7-11-9;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-4(2)5(3)6;;/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3,6-8H,1-2H3;4-6H,1-3H3;3,5-7H,4H2,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*1H4
InChIKeyIWPVQJKHMOKLAN-UHFFFAOYSA-N
XLogP31.35
TPSA236.45 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.62
LogP ≤ 531.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine with MolForge

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Related Compounds

6-[5-(5-Fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one
CID 118526031
5-Ethenyl-2-propan-2-ylpyrimidine;2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);tris(5-methyl-2-propan-2-ylpyrimidine);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
CID 157093317
2-Tert-butyl-5-phenyl-1,3,4-oxadiazole;bis(2-tert-butylpyridine);4-tert-butylpyrimidine;bis(2-tert-butylquinoline)
CID 157170123
4,6-Bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157375166
4-[4-(10-Phenylphenanthridin-6-yl)phenyl]benzonitrile;2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole;10-phenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;10-phenyl-6-[4-(6-phenyl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-(4-pyridin-2-ylphenyl)phenanthridine;10-phenyl-6-(4-quinolin-6-ylphenyl)phenanthridine
CID 157416213
4,6-Bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 157439961
3-[[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
CID 157904489
5-[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
CID 157904490
2-Tert-butyl-5-phenyl-1,3,4-oxadiazole;bis(2-tert-butylpyridine);4-tert-butylpyrimidine;bis(2-tert-butylquinoline);methane
CID 158203335
2-Benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);bis(5-methyl-2-propan-2-ylpyrimidine);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine
CID 158583432
8-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,16-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15(20),16,18,21-undecaene;2-pyridin-4-yl-5-(4-quinolino[7,8-h]quinolin-2-ylphenyl)-1,3,4-oxadiazole;8-(5-quinolin-3-yl-2-pyridinyl)-9,16-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15(20),16,18,21-undecaene
CID 159267231
2-Methyl-4,6-bis(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine;2-(4-methylphenyl)-5-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]-1,3,4-oxadiazole;4-methylpyridine
CID 159303330

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
The IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine (CID 158827398) is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine is C.C.C=CCC(C)C.CC(=O)C(C)C.CC(C)C#Cc1ncccn1.CC(C)C1=CCC=C1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
The InChIKey is IWPVQJKHMOKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H14N2O.C11H12N4.C9H10N2.C8H12N2.C8H12.C6H12.C5H10O.2CH4/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)4-5-9-10-6-3-7-11-9;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-4(2)5(3)6;;/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3,6-8H,1-2H3;4-6H,1-3H3;3,5-7H,4H2,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*1H4.
What are the key properties of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine has a molecular weight of 1864.62 g/mol, XLogP of 31.35, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 158827398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).