(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one

C16H19N3OS — CID 30834816

IUPAC(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C)cc(N)n2)c1
InChIInChI=1S/C16H19N3OS/c1-9-5-6-10(2)13(7-9)15(20)12(4)21-16-18-11(3)8-14(17)19-16/h5-8,12H,1-4H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyYDRUPUZDIBJWOQ-GFCCVEGCSA-N
MW301.42 g/mol
LogP3.35
Rot. Bonds4

About (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one

(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one (PubChem CID 30834816) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one
PubChem CID30834816
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C)cc(N)n2)c1
InChIInChI=1S/C16H19N3OS/c1-9-5-6-10(2)13(7-9)15(20)12(4)21-16-18-11(3)8-14(17)19-16/h5-8,12H,1-4H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyYDRUPUZDIBJWOQ-GFCCVEGCSA-N
XLogP3.35
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one?
The IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one (CID 30834816) is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one is Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C)cc(N)n2)c1.
What is the InChIKey of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one?
The InChIKey is YDRUPUZDIBJWOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9-5-6-10(2)13(7-9)15(20)12(4)21-16-18-11(3)8-14(17)19-16/h5-8,12H,1-4H3,(H2,17,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one?
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one has a molecular weight of 301.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 30834816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).