3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide

C9H14N4O3 — CID 136849664

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCCc1nc(NCC(O)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c1-2-6-12-7(3-8(15)13-6)11-4-5(14)9(10)16/h3,5,14H,2,4H2,1H3,(H2,10,16)(H2,11,12,13,15)
InChIKeyJDNFFQCKOZQPAR-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.41
Rot. Bonds5

About 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 136849664) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID136849664
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCCc1nc(NCC(O)C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c1-2-6-12-7(3-8(15)13-6)11-4-5(14)9(10)16/h3,5,14H,2,4H2,1H3,(H2,10,16)(H2,11,12,13,15)
InChIKeyJDNFFQCKOZQPAR-UHFFFAOYSA-N
XLogP-1.41
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.41
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
2-hydroxy-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849665
2-hydroxy-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849666
4-(2-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956076
4-(2,3-dihydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956913
4-(2-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957161
4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957727
2-ethyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973816
4-(2-hydroxyethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973819

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 136849664) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide is CCc1nc(NCC(O)C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is JDNFFQCKOZQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-6-12-7(3-8(15)13-6)11-4-5(14)9(10)16/h3,5,14H,2,4H2,1H3,(H2,10,16)(H2,11,12,13,15).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 226.24 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 136849664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).