2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one

C18H17FN4O2 — CID 23020481

IUPAC2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(C)c2)c1=O
InChIInChI=1S/C18H17FN4O2/c1-3-23-17(25)15(12-7-8-14(24)22(2)10-12)16(21-18(23)20)11-5-4-6-13(19)9-11/h4-10H,3H2,1-2H3,(H2,20,21)
InChIKeyRJYGCDULNZZLRL-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one

2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one (PubChem CID 23020481) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one
PubChem CID23020481
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(C)c2)c1=O
InChIInChI=1S/C18H17FN4O2/c1-3-23-17(25)15(12-7-8-14(24)22(2)10-12)16(21-18(23)20)11-5-4-6-13(19)9-11/h4-10H,3H2,1-2H3,(H2,20,21)
InChIKeyRJYGCDULNZZLRL-UHFFFAOYSA-N
XLogP2.02
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one (CID 23020481) is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one is CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(C)c2)c1=O.
What is the InChIKey of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one?
The InChIKey is RJYGCDULNZZLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-3-23-17(25)15(12-7-8-14(24)22(2)10-12)16(21-18(23)20)11-5-4-6-13(19)9-11/h4-10H,3H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one?
2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one has a molecular weight of 340.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-4-one is sourced from PubChem (CID 23020481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).