2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

C13H16ClN3OS — CID 106923557

IUPAC2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2nc(C(C)C)nc(Cl)c2C)oc1C
InChIInChI=1S/C13H16ClN3OS/c1-6(2)11-16-10(14)7(3)12(17-11)19-13-15-8(4)9(5)18-13/h6H,1-5H3
InChIKeyAOVGMCJFCOVSLU-UHFFFAOYSA-N
MW297.81 g/mol
LogP4.32
Rot. Bonds3

About 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 106923557) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID106923557
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2nc(C(C)C)nc(Cl)c2C)oc1C
InChIInChI=1S/C13H16ClN3OS/c1-6(2)11-16-10(14)7(3)12(17-11)19-13-15-8(4)9(5)18-13/h6H,1-5H3
InChIKeyAOVGMCJFCOVSLU-UHFFFAOYSA-N
XLogP4.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 80971341
2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923554
2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 133408625
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923495
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 80970517
(1R)-1-[3-chloro-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923297
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-methylpyrimidin-2-yl]hydrazine
CID 106928882
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923542
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 106923557) is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2nc(C(C)C)nc(Cl)c2C)oc1C.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is AOVGMCJFCOVSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-6(2)11-16-10(14)7(3)12(17-11)19-13-15-8(4)9(5)18-13/h6H,1-5H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 297.81 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).