(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide

C19H19N5O — CID 50977879

IUPAC(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESCc1cc(N[C@@H](Cc2ccccc2)C(N)=O)nc(-c2cccnc2)n1
InChIInChI=1S/C19H19N5O/c1-13-10-17(24-19(22-13)15-8-5-9-21-12-15)23-16(18(20)25)11-14-6-3-2-4-7-14/h2-10,12,16H,11H2,1H3,(H2,20,25)(H,22,23,24)/t16-/m0/s1
InChIKeyPZXDUDSWIISGTH-INIZCTEOSA-N
MW333.40 g/mol
LogP2.36
Rot. Bonds6

About (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide

(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide (PubChem CID 50977879) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
PubChem CID50977879
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESCc1cc(N[C@@H](Cc2ccccc2)C(N)=O)nc(-c2cccnc2)n1
InChIInChI=1S/C19H19N5O/c1-13-10-17(24-19(22-13)15-8-5-9-21-12-15)23-16(18(20)25)11-14-6-3-2-4-7-14/h2-10,12,16H,11H2,1H3,(H2,20,25)(H,22,23,24)/t16-/m0/s1
InChIKeyPZXDUDSWIISGTH-INIZCTEOSA-N
XLogP2.36
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 94750026
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 122049534
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
CID 94077060
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064930

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide (CID 50977879) is (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide is Cc1cc(N[C@@H](Cc2ccccc2)C(N)=O)nc(-c2cccnc2)n1.
What is the InChIKey of (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide?
The InChIKey is PZXDUDSWIISGTH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-10-17(24-19(22-13)15-8-5-9-21-12-15)23-16(18(20)25)11-14-6-3-2-4-7-14/h2-10,12,16H,11H2,1H3,(H2,20,25)(H,22,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide?
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide has a molecular weight of 333.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 50977879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).