4-methyl-5-phenylsulfanylpyrimidin-2-amine

C11H11N3S — CID 2745353

IUPAC4-methyl-5-phenylsulfanylpyrimidin-2-amine
SMILESCc1nc(N)ncc1Sc1ccccc1
InChIInChI=1S/C11H11N3S/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14)
InChIKeyVIDGCIWOPYNDCN-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.52
Rot. Bonds2

About 4-methyl-5-phenylsulfanylpyrimidin-2-amine

4-methyl-5-phenylsulfanylpyrimidin-2-amine (PubChem CID 2745353) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-methyl-5-phenylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-phenylsulfanylpyrimidin-2-amine
PubChem CID2745353
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-methyl-5-phenylsulfanylpyrimidin-2-amine
SMILESCc1nc(N)ncc1Sc1ccccc1
InChIInChI=1S/C11H11N3S/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14)
InChIKeyVIDGCIWOPYNDCN-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4,6-Dimethyl-2-(phenylthio)pyrimidine
CID 723503
2,4-Dimethyl-5-[(2-methylbenzyl)thio]pyrimidine
CID 2745352
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
N~2~,N~2~-dimethyl-5-(phenylsulfonyl)-2,4-pyrimidinediamine
CID 1488188
5-Methyl-4-styrylpyrimidin-2-amine
CID 49862522
N-(4-methyl-2-pyrimidinyl)benzenesulfonamide
CID 2218567
2,4-Dimethyl-5-[(4-methylbenzyl)thio]pyrimidine
CID 2745263
4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine
CID 1475322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenylsulfanylpyrimidin-2-amine?
The IUPAC name of 4-methyl-5-phenylsulfanylpyrimidin-2-amine (CID 2745353) is 4-methyl-5-phenylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-phenylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-phenylsulfanylpyrimidin-2-amine is Cc1nc(N)ncc1Sc1ccccc1.
What is the InChIKey of 4-methyl-5-phenylsulfanylpyrimidin-2-amine?
The InChIKey is VIDGCIWOPYNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 4-methyl-5-phenylsulfanylpyrimidin-2-amine?
4-methyl-5-phenylsulfanylpyrimidin-2-amine has a molecular weight of 217.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 2745353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).