6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

C12H15N5S — CID 80891671

IUPAC6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ccnc(Sc2ncnc(N)c2C(C)C)n1
InChIInChI=1S/C12H15N5S/c1-7(2)9-10(13)15-6-16-11(9)18-12-14-5-4-8(3)17-12/h4-7H,1-3H3,(H2,13,15,16)
InChIKeyKCSHONQPYZJUGM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.43
Rot. Bonds3

About 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80891671) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80891671
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ccnc(Sc2ncnc(N)c2C(C)C)n1
InChIInChI=1S/C12H15N5S/c1-7(2)9-10(13)15-6-16-11(9)18-12-14-5-4-8(3)17-12/h4-7H,1-3H3,(H2,13,15,16)
InChIKeyKCSHONQPYZJUGM-UHFFFAOYSA-N
XLogP2.43
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine (CID 80891671) is 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine is Cc1ccnc(Sc2ncnc(N)c2C(C)C)n1.
What is the InChIKey of 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KCSHONQPYZJUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7(2)9-10(13)15-6-16-11(9)18-12-14-5-4-8(3)17-12/h4-7H,1-3H3,(H2,13,15,16).
What are the key properties of 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80891671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).