2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine

C10H9ClN4OS — CID 80752447

IUPAC2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine
SMILESCOc1ncc(Cl)c(Sc2ncccc2N)n1
InChIInChI=1S/C10H9ClN4OS/c1-16-10-14-5-6(11)8(15-10)17-9-7(12)3-2-4-13-9/h2-5H,12H2,1H3
InChIKeyGJOUOWAVCBCJBC-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.27
Rot. Bonds3

About 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine

2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine (PubChem CID 80752447) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine
PubChem CID80752447
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine
SMILESCOc1ncc(Cl)c(Sc2ncccc2N)n1
InChIInChI=1S/C10H9ClN4OS/c1-16-10-14-5-6(11)8(15-10)17-9-7(12)3-2-4-13-9/h2-5H,12H2,1H3
InChIKeyGJOUOWAVCBCJBC-UHFFFAOYSA-N
XLogP2.27
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
CID 102902759
5-chloro-4-(2-chloroethylsulfanyl)-2-methoxypyrimidine
CID 80758991
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylphenyl]acetic acid
CID 80759135
2-methoxy-5-pyridin-2-ylpyrimidin-4-amine
CID 175534342
2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 114276568
5-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylaniline
CID 114252547
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 80752764
2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine
CID 130545438
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2-chloropyridin-3-amine;ethane
CID 91236082

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine (CID 80752447) is 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine is COc1ncc(Cl)c(Sc2ncccc2N)n1.
What is the InChIKey of 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine?
The InChIKey is GJOUOWAVCBCJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-16-10-14-5-6(11)8(15-10)17-9-7(12)3-2-4-13-9/h2-5H,12H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine?
2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine has a molecular weight of 268.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 80752447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).