4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine

C8H7ClN4OS — CID 103525448

IUPAC4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1coc(Sc2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C8H7ClN4OS/c1-4-3-14-8(11-4)15-6-2-5(9)12-7(10)13-6/h2-3H,1H3,(H2,10,12,13)
InChIKeyAUJLWNRJYKGNOS-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.16
Rot. Bonds2

About 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine

4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 103525448) has the molecular formula C8H7ClN4OS and a molecular weight of 242.69 g/mol. Its IUPAC name is 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID103525448
Molecular FormulaC8H7ClN4OS
Molecular Weight242.69 g/mol
Exact Mass242.00
IUPAC Name4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1coc(Sc2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C8H7ClN4OS/c1-4-3-14-8(11-4)15-6-2-5(9)12-7(10)13-6/h2-3H,1H3,(H2,10,12,13)
InChIKeyAUJLWNRJYKGNOS-UHFFFAOYSA-N
XLogP2.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923489
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928456
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928576
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 113894287
4-Chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 71943121
2-(6-Chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525446
2-(2-Chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525449

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 103525448) is 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1coc(Sc2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is AUJLWNRJYKGNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS/c1-4-3-14-8(11-4)15-6-2-5(9)12-7(10)13-6/h2-3H,1H3,(H2,10,12,13).
What are the key properties of 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 242.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 103525448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).