5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine

C9H8ClN5S — CID 89255962

IUPAC5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
SMILESCc1cnc(Cl)nc1Sc1cnc(N)nc1
InChIInChI=1S/C9H8ClN5S/c1-5-2-12-8(10)15-7(5)16-6-3-13-9(11)14-4-6/h2-4H,1H3,(H2,11,13,14)
InChIKeyCKKJSCNLYVAEMI-UHFFFAOYSA-N
MW253.72 g/mol
LogP1.96
Rot. Bonds2

About 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine

5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine (PubChem CID 89255962) has the molecular formula C9H8ClN5S and a molecular weight of 253.72 g/mol. Its IUPAC name is 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
PubChem CID89255962
Molecular FormulaC9H8ClN5S
Molecular Weight253.72 g/mol
Exact Mass253.02
IUPAC Name5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
SMILESCc1cnc(Cl)nc1Sc1cnc(N)nc1
InChIInChI=1S/C9H8ClN5S/c1-5-2-12-8(10)15-7(5)16-6-3-13-9(11)14-4-6/h2-4H,1H3,(H2,11,13,14)
InChIKeyCKKJSCNLYVAEMI-UHFFFAOYSA-N
XLogP1.96
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
5-Methyl-2,4-bis(methylthio)pyrimidine
CID 11401210
2-Chloro-5-methyl-4-(methylthio)pyrimidine
CID 21267740
2-Chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine;4-chloro-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 159596850
5-Pyrimidin-5-ylsulfanylpyrimidine
CID 53908374
4-Tert-butylsulfanyl-2-chloro-5-fluoropyrimidine
CID 79075264
2-Chloro-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidine
CID 79075486
4-Tert-butylsulfanyl-5-fluoropyrimidin-2-amine
CID 80886792
5-fluoro-N-methyl-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80891890
5-Fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80891892
5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80892119
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine (CID 89255962) is 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine is Cc1cnc(Cl)nc1Sc1cnc(N)nc1.
What is the InChIKey of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
The InChIKey is CKKJSCNLYVAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5S/c1-5-2-12-8(10)15-7(5)16-6-3-13-9(11)14-4-6/h2-4H,1H3,(H2,11,13,14).
What are the key properties of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine has a molecular weight of 253.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 89255962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).