4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine

C11H15N5S — CID 72939356

IUPAC4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCSc2nccn2C)n1
InChIInChI=1S/C11H15N5S/c1-9-3-4-12-10(15-9)13-6-8-17-11-14-5-7-16(11)2/h3-5,7H,6,8H2,1-2H3,(H,12,13,15)
InChIKeyOZBJKYBGGOTOPT-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.72
Rot. Bonds5

About 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine

4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine (PubChem CID 72939356) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine
PubChem CID72939356
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCSc2nccn2C)n1
InChIInChI=1S/C11H15N5S/c1-9-3-4-12-10(15-9)13-6-8-17-11-14-5-7-16(11)2/h3-5,7H,6,8H2,1-2H3,(H,12,13,15)
InChIKeyOZBJKYBGGOTOPT-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine (CID 72939356) is 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine is Cc1ccnc(NCCSc2nccn2C)n1.
What is the InChIKey of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine?
The InChIKey is OZBJKYBGGOTOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-9-3-4-12-10(15-9)13-6-8-17-11-14-5-7-16(11)2/h3-5,7H,6,8H2,1-2H3,(H,12,13,15).
What are the key properties of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine?
4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidin-2-amine is sourced from PubChem (CID 72939356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).