N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine

C10H13N5S — CID 80891727

IUPACN,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H13N5S/c1-7-4-9(14-10(11-2)13-7)16-8-5-12-15(3)6-8/h4-6H,1-3H3,(H,11,13,14)
InChIKeyUDMHCZJLKNXFEY-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.71
Rot. Bonds3

About N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine

N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (PubChem CID 80891727) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
PubChem CID80891727
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H13N5S/c1-7-4-9(14-10(11-2)13-7)16-8-5-12-15(3)6-8/h4-6H,1-3H3,(H,11,13,14)
InChIKeyUDMHCZJLKNXFEY-UHFFFAOYSA-N
XLogP1.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (CID 80891727) is N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is CNc1nc(C)cc(Sc2cnn(C)c2)n1.
What is the InChIKey of N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The InChIKey is UDMHCZJLKNXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-4-9(14-10(11-2)13-7)16-8-5-12-15(3)6-8/h4-6H,1-3H3,(H,11,13,14).
What are the key properties of N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80891727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).