2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one

C17H15FN4O2 — CID 23020477

IUPAC2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)[nH]c2)c1=O
InChIInChI=1S/C17H15FN4O2/c1-2-22-16(24)14(11-6-7-13(23)20-9-11)15(21-17(22)19)10-4-3-5-12(18)8-10/h3-9H,2H2,1H3,(H2,19,21)(H,20,23)
InChIKeyNOCLSMVUQBTDQY-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.01
Rot. Bonds3

About 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one

2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one (PubChem CID 23020477) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one
PubChem CID23020477
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)[nH]c2)c1=O
InChIInChI=1S/C17H15FN4O2/c1-2-22-16(24)14(11-6-7-13(23)20-9-11)15(21-17(22)19)10-4-3-5-12(18)8-10/h3-9H,2H2,1H3,(H2,19,21)(H,20,23)
InChIKeyNOCLSMVUQBTDQY-UHFFFAOYSA-N
XLogP2.01
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyr idino[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)}carboxamide
CID 3470615
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135434838
2-(4-benzylpiperazin-1-yl)-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135497598
2-(diethylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135846082
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846105
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135846108
N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 9657452
N-benzyl-N-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)acetamide
CID 135424204
2-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-4(3H)-one
CID 135515826
7-[(3,4-Difluorophenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665517
N-cyclopentyl{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropy ridino[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)}carboxamide
CID 3461011
N-[(4-fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4041288

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one (CID 23020477) is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one is CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)[nH]c2)c1=O.
What is the InChIKey of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one?
The InChIKey is NOCLSMVUQBTDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-2-22-16(24)14(11-6-7-13(23)20-9-11)15(21-17(22)19)10-4-3-5-12(18)8-10/h3-9H,2H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one?
2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one has a molecular weight of 326.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 23020477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).