2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol

C10H10ClN5S — CID 3067471

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
SMILESCc1ccc(S)c(Nc2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C10H10ClN5S/c1-5-2-3-6(17)9(13-5)15-8-4-7(11)14-10(12)16-8/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKeyYKCQIBMPZWYMNV-UHFFFAOYSA-N
MW267.75 g/mol
LogP2.45
Rot. Bonds2

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol (PubChem CID 3067471) has the molecular formula C10H10ClN5S and a molecular weight of 267.75 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
PubChem CID3067471
Molecular FormulaC10H10ClN5S
Molecular Weight267.75 g/mol
Exact Mass267.03
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
SMILESCc1ccc(S)c(Nc2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C10H10ClN5S/c1-5-2-3-6(17)9(13-5)15-8-4-7(11)14-10(12)16-8/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKeyYKCQIBMPZWYMNV-UHFFFAOYSA-N
XLogP2.45
TPSA76.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.75
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol (CID 3067471) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol is Cc1ccc(S)c(Nc2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol?
The InChIKey is YKCQIBMPZWYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5S/c1-5-2-3-6(17)9(13-5)15-8-4-7(11)14-10(12)16-8/h2-4,17H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol has a molecular weight of 267.75 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol is sourced from PubChem (CID 3067471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).