1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine

C10H13N5S — CID 62267482

IUPAC1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine
SMILESCc1ccnc(Sc2c(N)c(C)nn2C)n1
InChIInChI=1S/C10H13N5S/c1-6-4-5-12-10(13-6)16-9-8(11)7(2)14-15(9)3/h4-5H,11H2,1-3H3
InChIKeyGOJGAOBYPVTRBP-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.56
Rot. Bonds2

About 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine

1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine (PubChem CID 62267482) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine
PubChem CID62267482
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine
SMILESCc1ccnc(Sc2c(N)c(C)nn2C)n1
InChIInChI=1S/C10H13N5S/c1-6-4-5-12-10(13-6)16-9-8(11)7(2)14-15(9)3/h4-5H,11H2,1-3H3
InChIKeyGOJGAOBYPVTRBP-UHFFFAOYSA-N
XLogP1.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine (CID 62267482) is 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine is Cc1ccnc(Sc2c(N)c(C)nn2C)n1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine?
The InChIKey is GOJGAOBYPVTRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-6-4-5-12-10(13-6)16-9-8(11)7(2)14-15(9)3/h4-5H,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine?
1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpyrazol-4-amine is sourced from PubChem (CID 62267482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).