6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

C11H15N5S — CID 80886693

IUPAC6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Sc1nccn1C
InChIInChI=1S/C11H15N5S/c1-7(2)8-9(12)14-6-15-10(8)17-11-13-4-5-16(11)3/h4-7H,1-3H3,(H2,12,14,15)
InChIKeyQQUTYHWYGTUYHY-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.07
Rot. Bonds3

About 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80886693) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80886693
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Sc1nccn1C
InChIInChI=1S/C11H15N5S/c1-7(2)8-9(12)14-6-15-10(8)17-11-13-4-5-16(11)3/h4-7H,1-3H3,(H2,12,14,15)
InChIKeyQQUTYHWYGTUYHY-UHFFFAOYSA-N
XLogP2.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methylimidazol-2-yl)sulfanylpyrido[4,3-d]pyrimidine
CID 130257457
4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine
CID 130257406
4-(1-methylimidazol-2-yl)sulfanylfuro[2,3-d]pyrimidine
CID 130257409
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80894171
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
6-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 103132081
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
1-[2-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 114057597
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
4-amino-3-(1-methylimidazol-2-yl)sulfanylbenzenesulfonamide
CID 70273184
6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 80889509

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine (CID 80886693) is 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1Sc1nccn1C.
What is the InChIKey of 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QQUTYHWYGTUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7(2)8-9(12)14-6-15-10(8)17-11-13-4-5-16(11)3/h4-7H,1-3H3,(H2,12,14,15).
What are the key properties of 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80886693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).