N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

C7H10N4O3 — CID 66759217

IUPACN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-2-3(12)9-4-5(13)10-7(8)11-6(4)14/h2H2,1H3,(H,9,12)(H4,8,10,11,13,14)
InChIKeyGWGLYIKPAKDHDM-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.59
Rot. Bonds2

About N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 66759217) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID66759217
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-2-3(12)9-4-5(13)10-7(8)11-6(4)14/h2H2,1H3,(H,9,12)(H4,8,10,11,13,14)
InChIKeyGWGLYIKPAKDHDM-UHFFFAOYSA-N
XLogP-0.59
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 66759217) is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide is CCC(=O)Nc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is GWGLYIKPAKDHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-3(12)9-4-5(13)10-7(8)11-6(4)14/h2H2,1H3,(H,9,12)(H4,8,10,11,13,14).
What are the key properties of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 198.18 g/mol, XLogP of -0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 66759217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).