3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide

C13H13FN4O3 — CID 66802255

IUPAC3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
SMILESNC(=O)CC(c1ccc(F)cc1)c1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C13H13FN4O3/c14-7-3-1-6(2-4-7)8(5-9(15)19)10-11(20)17-13(16)18-12(10)21/h1-4,8H,5H2,(H2,15,19)(H4,16,17,18,20,21)
InChIKeyRTJOGIBFAHOLTQ-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.20
Rot. Bonds4

About 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide

3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 66802255) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
PubChem CID66802255
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
SMILESNC(=O)CC(c1ccc(F)cc1)c1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C13H13FN4O3/c14-7-3-1-6(2-4-7)8(5-9(15)19)10-11(20)17-13(16)18-12(10)21/h1-4,8H,5H2,(H2,15,19)(H4,16,17,18,20,21)
InChIKeyRTJOGIBFAHOLTQ-UHFFFAOYSA-N
XLogP0.20
TPSA135.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diamino-5-phenylpyrimidin-4(1H)-one
CID 135448367
5-(4-fluorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135439631
Stk053285
CID 4578840
2-Amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505636
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
2-Amino-5-(3-ethylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550466
2-Amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550471
2,4-diamino-5-[1-(4-fluorophenyl)-2-nitroethyl]-1H-pyrimidin-6-one
CID 137100798
2-amino-5-(2-chloro-6-fluorophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135413797
5-{(4-fluorophenyl)[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]methyl}-6-hydroxy-2-(methylsulfanyl)-4(3H)-pyrimidinone
CID 2930389
2-Amino-5-(4-fluorophenyl)-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135440796
2-amino-5-(4-fluorophenyl)-6-hydroxy-8,8-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
CID 135519717

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide (CID 66802255) is 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide is NC(=O)CC(c1ccc(F)cc1)c1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is RTJOGIBFAHOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-7-3-1-6(2-4-7)8(5-9(15)19)10-11(20)17-13(16)18-12(10)21/h1-4,8H,5H2,(H2,15,19)(H4,16,17,18,20,21).
What are the key properties of 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide?
3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 292.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 66802255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).