2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

C11H10ClN3OS — CID 103525456

IUPAC2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C11H10ClN3OS/c1-6-5-16-11(13-6)17-9-4-8(12)14-10(15-9)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyFYEOJCSTEIPASF-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.46
Rot. Bonds3

About 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 103525456) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID103525456
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C11H10ClN3OS/c1-6-5-16-11(13-6)17-9-4-8(12)14-10(15-9)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyFYEOJCSTEIPASF-UHFFFAOYSA-N
XLogP3.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80951185
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
CID 80951106
4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
CID 80951552
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 103880271
4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine
CID 133432419
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133432670
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 133434167
4-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-cyclopropylpyrimidine
CID 133432876

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 103525456) is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is Cc1coc(Sc2cc(Cl)nc(C3CC3)n2)n1.
What is the InChIKey of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is FYEOJCSTEIPASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-5-16-11(13-6)17-9-4-8(12)14-10(15-9)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 267.74 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 103525456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).