(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide

C14H15ClN4O — CID 135099263

IUPAC(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESCc1ncc(Cl)c(N[C@@H](Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C14H15ClN4O/c1-9-17-8-11(15)14(18-9)19-12(13(16)20)7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3,(H2,16,20)(H,17,18,19)/t12-/m0/s1
InChIKeyHRROOKKLZYWOLI-LBPRGKRZSA-N
MW290.75 g/mol
LogP1.95
Rot. Bonds5

About (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide

(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide (PubChem CID 135099263) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
PubChem CID135099263
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESCc1ncc(Cl)c(N[C@@H](Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C14H15ClN4O/c1-9-17-8-11(15)14(18-9)19-12(13(16)20)7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3,(H2,16,20)(H,17,18,19)/t12-/m0/s1
InChIKeyHRROOKKLZYWOLI-LBPRGKRZSA-N
XLogP1.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
CID 145402038
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2S)-2-[(2-chloro-5-ethoxycarbonylpyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 90837125
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
CID 155662554
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide
CID 94816376
2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
CID 144516553
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
CID 133400269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide (CID 135099263) is (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide is Cc1ncc(Cl)c(N[C@@H](Cc2ccccc2)C(N)=O)n1.
What is the InChIKey of (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide?
The InChIKey is HRROOKKLZYWOLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-17-8-11(15)14(18-9)19-12(13(16)20)7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3,(H2,16,20)(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide?
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide has a molecular weight of 290.75 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 135099263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).