1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine

C10H13N5S — CID 62138468

IUPAC1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine
SMILESCc1cnc(SCCn2cc(N)cn2)nc1
InChIInChI=1S/C10H13N5S/c1-8-4-12-10(13-5-8)16-3-2-15-7-9(11)6-14-15/h4-7H,2-3,11H2,1H3
InChIKeyKCCCDKWTJJFYSM-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine

1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine (PubChem CID 62138468) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine
PubChem CID62138468
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine
SMILESCc1cnc(SCCn2cc(N)cn2)nc1
InChIInChI=1S/C10H13N5S/c1-8-4-12-10(13-5-8)16-3-2-15-7-9(11)6-14-15/h4-7H,2-3,11H2,1H3
InChIKeyKCCCDKWTJJFYSM-UHFFFAOYSA-N
XLogP1.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine (CID 62138468) is 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine is Cc1cnc(SCCn2cc(N)cn2)nc1.
What is the InChIKey of 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine?
The InChIKey is KCCCDKWTJJFYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-8-4-12-10(13-5-8)16-3-2-15-7-9(11)6-14-15/h4-7H,2-3,11H2,1H3.
What are the key properties of 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine?
1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine is sourced from PubChem (CID 62138468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).