2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine

C105H150F3N15O4S2 — CID 162241252

IUPAC2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine
SMILESC.C.CC(C)Cc1ncc(C(C)C)s1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(F)c(N2CCOC2=O)c1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccncn1.Cc1cc(C(C)C)ccn1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H17NO.C12H14FNO2.C10H14N2.C10H11NO.C10H17NS.C9H11F2N.C9H13N.2C8H12N2.C7H10N2.C7H11NS.2CH4/c1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-8(2)9-3-4-10(13)11(7-9)14-5-6-16-12(14)15;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)7-3-4-12-8(5-7)9(10)11;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-8-6(3)9-7;;/h5-8,10H,3-4,9H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;6-8H,5H2,1-4H3;3-6,9H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;2*1H4
InChIKeyZWSSWUXEGGMMFC-UHFFFAOYSA-N
MW1807.58 g/mol
LogP29.66
Rot. Bonds17

About 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine

2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine (PubChem CID 162241252) has the molecular formula C105H150F3N15O4S2 and a molecular weight of 1807.58 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine
PubChem CID162241252
Molecular FormulaC105H150F3N15O4S2
Molecular Weight1807.58 g/mol
Exact Mass1806.14
IUPAC Name2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine
SMILESC.C.CC(C)Cc1ncc(C(C)C)s1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(F)c(N2CCOC2=O)c1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccncn1.Cc1cc(C(C)C)ccn1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H17NO.C12H14FNO2.C10H14N2.C10H11NO.C10H17NS.C9H11F2N.C9H13N.2C8H12N2.C7H10N2.C7H11NS.2CH4/c1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-8(2)9-3-4-10(13)11(7-9)14-5-6-16-12(14)15;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)7-3-4-12-8(5-7)9(10)11;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-8-6(3)9-7;;/h5-8,10H,3-4,9H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;6-8H,5H2,1-4H3;3-6,9H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;2*1H4
InChIKeyZWSSWUXEGGMMFC-UHFFFAOYSA-N
XLogP29.66
TPSA230.56 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001807.58
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine?
The IUPAC name of 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine (CID 162241252) is 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine?
The canonical SMILES for 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine is C.C.CC(C)Cc1ncc(C(C)C)s1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(F)c(N2CCOC2=O)c1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccncn1.Cc1cc(C(C)C)ccn1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine?
The InChIKey is ZWSSWUXEGGMMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H14FNO2.C10H14N2.C10H11NO.C10H17NS.C9H11F2N.C9H13N.2C8H12N2.C7H10N2.C7H11NS.2CH4/c1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-8(2)9-3-4-10(13)11(7-9)14-5-6-16-12(14)15;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)7-3-4-12-8(5-7)9(10)11;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-8-6(3)9-7;;/h5-8,10H,3-4,9H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;6-8H,5H2,1-4H3;3-6,9H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;2*1H4.
What are the key properties of 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine?
2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine has a molecular weight of 1807.58 g/mol, XLogP of 29.66, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine is sourced from PubChem (CID 162241252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).