2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C8H12N4O3 — CID 136849665

IUPAC2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(NCC(O)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c1-4-11-6(2-7(14)12-4)10-3-5(13)8(9)15/h2,5,13H,3H2,1H3,(H2,9,15)(H2,10,11,12,14)
InChIKeyKRWXIKFAGQLWLT-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.66
Rot. Bonds4

About 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136849665) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136849665
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(NCC(O)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c1-4-11-6(2-7(14)12-4)10-3-5(13)8(9)15/h2,5,13H,3H2,1H3,(H2,9,15)(H2,10,11,12,14)
InChIKeyKRWXIKFAGQLWLT-UHFFFAOYSA-N
XLogP-1.66
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790775
2-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790776
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136790786
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136790787
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849664
2-hydroxy-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849666
4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956025
4-(2-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956076
4-[(2-hydroxy-3-methoxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956761
4-(3-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956809
4-(2,3-dihydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956913
N-(2-methoxyethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136957130

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136849665) is 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is Cc1nc(NCC(O)C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is KRWXIKFAGQLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-4-11-6(2-7(14)12-4)10-3-5(13)8(9)15/h2,5,13H,3H2,1H3,(H2,9,15)(H2,10,11,12,14).
What are the key properties of 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 212.21 g/mol, XLogP of -1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136849665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).