2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine

C10H12N6S — CID 83269733

IUPAC2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
SMILESCc1cnc(Sc2nc(N)cc(N)n2)cc1N
InChIInChI=1S/C10H12N6S/c1-5-4-14-9(2-6(5)11)17-10-15-7(12)3-8(13)16-10/h2-4H,1H3,(H2,11,14)(H4,12,13,15,16)
InChIKeyPHKCZBMJQLRASQ-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.08
Rot. Bonds2

About 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine

2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine (PubChem CID 83269733) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
PubChem CID83269733
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
SMILESCc1cnc(Sc2nc(N)cc(N)n2)cc1N
InChIInChI=1S/C10H12N6S/c1-5-4-14-9(2-6(5)11)17-10-15-7(12)3-8(13)16-10/h2-4H,1H3,(H2,11,14)(H4,12,13,15,16)
InChIKeyPHKCZBMJQLRASQ-UHFFFAOYSA-N
XLogP1.08
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine (CID 83269733) is 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine is Cc1cnc(Sc2nc(N)cc(N)n2)cc1N.
What is the InChIKey of 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine?
The InChIKey is PHKCZBMJQLRASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-5-4-14-9(2-6(5)11)17-10-15-7(12)3-8(13)16-10/h2-4H,1H3,(H2,11,14)(H4,12,13,15,16).
What are the key properties of 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine?
2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine has a molecular weight of 248.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 83269733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).