5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine

C10H14ClN3OS — CID 115733683

IUPAC5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC2CCCSC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-15-10-12-5-8(11)9(14-10)13-7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyKWSZEXBVGALJMY-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine (PubChem CID 115733683) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
PubChem CID115733683
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC2CCCSC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-15-10-12-5-8(11)9(14-10)13-7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyKWSZEXBVGALJMY-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
CID 107173705
4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
CID 113249980
5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
CID 102759994
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214598
5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
CID 103804863
5-chloro-N-(2-cyclopropyloxolan-3-yl)-2-methoxypyrimidin-4-amine
CID 103864060
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
N-(2-chloro-5-methoxyphenyl)thian-3-amine
CID 62871830
6-methoxy-N-(thian-3-yl)pyridin-3-amine
CID 62873047
5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80757851

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine (CID 115733683) is 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine is COc1ncc(Cl)c(NC2CCCSC2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine?
The InChIKey is KWSZEXBVGALJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-15-10-12-5-8(11)9(14-10)13-7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine has a molecular weight of 259.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 115733683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).