(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide

C16H21N5O — CID 95225151

IUPAC(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
SMILESC[C@@H](C(=O)N(C)C)N(C)Cc1cnc(-c2ccccn2)nc1
InChIInChI=1S/C16H21N5O/c1-12(16(22)20(2)3)21(4)11-13-9-18-15(19-10-13)14-7-5-6-8-17-14/h5-10,12H,11H2,1-4H3/t12-/m0/s1
InChIKeyTYNWZECSHIOYOA-LBPRGKRZSA-N
MW299.38 g/mol
LogP1.45
Rot. Bonds5

About (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide

(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide (PubChem CID 95225151) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
PubChem CID95225151
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
SMILESC[C@@H](C(=O)N(C)C)N(C)Cc1cnc(-c2ccccn2)nc1
InChIInChI=1S/C16H21N5O/c1-12(16(22)20(2)3)21(4)11-13-9-18-15(19-10-13)14-7-5-6-8-17-14/h5-10,12H,11H2,1-4H3/t12-/m0/s1
InChIKeyTYNWZECSHIOYOA-LBPRGKRZSA-N
XLogP1.45
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225152
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide
CID 50973005
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide
CID 95208811
(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
CID 77091777
N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide
CID 142517457
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 94177190
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide (CID 95225151) is (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide is C[C@@H](C(=O)N(C)C)N(C)Cc1cnc(-c2ccccn2)nc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide?
The InChIKey is TYNWZECSHIOYOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(16(22)20(2)3)21(4)11-13-9-18-15(19-10-13)14-7-5-6-8-17-14/h5-10,12H,11H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide?
(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide has a molecular weight of 299.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide is sourced from PubChem (CID 95225151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).