(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide

C14H16N4O — CID 93444407

IUPAC(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
SMILESCc1nccc(CNC(=O)[C@@H](N)c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-10-16-8-7-12(18-10)9-17-14(19)13(15)11-5-3-2-4-6-11/h2-8,13H,9,15H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyCHUOBCHYUCXJHZ-ZDUSSCGKSA-N
MW256.31 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide (PubChem CID 93444407) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
PubChem CID93444407
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
SMILESCc1nccc(CNC(=O)[C@@H](N)c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-10-16-8-7-12(18-10)9-17-14(19)13(15)11-5-3-2-4-6-11/h2-8,13H,9,15H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyCHUOBCHYUCXJHZ-ZDUSSCGKSA-N
XLogP1.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide (CID 93444407) is (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide is Cc1nccc(CNC(=O)[C@@H](N)c2ccccc2)n1.
What is the InChIKey of (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide?
The InChIKey is CHUOBCHYUCXJHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-16-8-7-12(18-10)9-17-14(19)13(15)11-5-3-2-4-6-11/h2-8,13H,9,15H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide has a molecular weight of 256.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 93444407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).