(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide

C8H11N3O2 — CID 130619252

IUPAC(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide
SMILESC[C@H](O)C(=O)NCc1ncccn1
InChIInChI=1S/C8H11N3O2/c1-6(12)8(13)11-5-7-9-3-2-4-10-7/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m0/s1
InChIKeyBDBXLIJDIVYRRC-LURJTMIESA-N
MW181.19 g/mol
LogP-0.53
Rot. Bonds3

About (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide

(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide (PubChem CID 130619252) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide
PubChem CID130619252
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide
SMILESC[C@H](O)C(=O)NCc1ncccn1
InChIInChI=1S/C8H11N3O2/c1-6(12)8(13)11-5-7-9-3-2-4-10-7/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m0/s1
InChIKeyBDBXLIJDIVYRRC-LURJTMIESA-N
XLogP-0.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
N-(pyrimidin-2-ylmethyl)butanamide
CID 89425553
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
methyl 2-(pyrimidin-2-ylmethylamino)propanoate
CID 62699544
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136564651
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 22665591
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide (CID 130619252) is (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide is C[C@H](O)C(=O)NCc1ncccn1.
What is the InChIKey of (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide?
The InChIKey is BDBXLIJDIVYRRC-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(12)8(13)11-5-7-9-3-2-4-10-7/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide?
(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide has a molecular weight of 181.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide is sourced from PubChem (CID 130619252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).