4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine

C11H16N6S — CID 50950039

IUPAC4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCSc2nccn2C)n1
InChIInChI=1S/C11H16N6S/c1-12-9-3-4-13-10(16-9)14-6-8-18-11-15-5-7-17(11)2/h3-5,7H,6,8H2,1-2H3,(H2,12,13,14,16)
InChIKeyHUAHDKMIEITGBJ-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.46
Rot. Bonds6

About 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine

4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine (PubChem CID 50950039) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine
PubChem CID50950039
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCSc2nccn2C)n1
InChIInChI=1S/C11H16N6S/c1-12-9-3-4-13-10(16-9)14-6-8-18-11-15-5-7-17(11)2/h3-5,7H,6,8H2,1-2H3,(H2,12,13,14,16)
InChIKeyHUAHDKMIEITGBJ-UHFFFAOYSA-N
XLogP1.46
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 134138382
CID 134138382
CID 134150613
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CID 134151972
CID 134151972
CID 565730
CID 565730
CID 134150693
CID 134150693
CID 134156062
CID 134156062
CID 50967432
CID 50967432
CID 53015216
CID 53015216
CID 56874529
CID 56874529
CID 72887542
CID 72887542
CID 72922955
CID 72922955
CID 72929016
CID 72929016

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine (CID 50950039) is 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine is CNc1ccnc(NCCSc2nccn2C)n1.
What is the InChIKey of 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine?
The InChIKey is HUAHDKMIEITGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-12-9-3-4-13-10(16-9)14-6-8-18-11-15-5-7-17(11)2/h3-5,7H,6,8H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine?
4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50950039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).