5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

C14H18N8S — CID 31075568

IUPAC5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(NCCSc2nccn2C)nc1-c1ncnn1C
InChIInChI=1S/C14H18N8S/c1-10-8-17-13(20-11(10)12-18-9-19-22(12)3)15-5-7-23-14-16-4-6-21(14)2/h4,6,8-9H,5,7H2,1-3H3,(H,15,17,20)
InChIKeyPYJAGRAWARGTHJ-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.52
Rot. Bonds6

About 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 31075568) has the molecular formula C14H18N8S and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID31075568
Molecular FormulaC14H18N8S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC Name5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(NCCSc2nccn2C)nc1-c1ncnn1C
InChIInChI=1S/C14H18N8S/c1-10-8-17-13(20-11(10)12-18-9-19-22(12)3)15-5-7-23-14-16-4-6-21(14)2/h4,6,8-9H,5,7H2,1-3H3,(H,15,17,20)
InChIKeyPYJAGRAWARGTHJ-UHFFFAOYSA-N
XLogP1.52
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31162606
4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 112744136
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 30853012
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyrimidin-2-amine
CID 31191896
5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine
CID 46990189
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine
CID 39826375
N-tert-butyl-4-(1-methylimidazol-2-yl)sulfanylbutan-1-amine
CID 62577482
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
CID 51204540
5-(methoxymethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56894585

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 31075568) is 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is Cc1cnc(NCCSc2nccn2C)nc1-c1ncnn1C.
What is the InChIKey of 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is PYJAGRAWARGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8S/c1-10-8-17-13(20-11(10)12-18-9-19-22(12)3)15-5-7-23-14-16-4-6-21(14)2/h4,6,8-9H,5,7H2,1-3H3,(H,15,17,20).
What are the key properties of 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 330.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 31075568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).