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

C19H18F2N4O2 — CID 21073979

IUPAC2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O
InChIInChI=1S/C19H18F2N4O2/c1-2-25-18(27)16(13-6-7-15(26)24(11-13)9-8-20)17(23-19(25)22)12-4-3-5-14(21)10-12/h3-7,10-11H,2,8-9H2,1H3,(H2,22,23)
InChIKeyDNDOVGZJMURPJB-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.45
Rot. Bonds5

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

2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one (PubChem CID 21073979) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one
PubChem CID21073979
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O
InChIInChI=1S/C19H18F2N4O2/c1-2-25-18(27)16(13-6-7-15(26)24(11-13)9-8-20)17(23-19(25)22)12-4-3-5-14(21)10-12/h3-7,10-11H,2,8-9H2,1H3,(H2,22,23)
InChIKeyDNDOVGZJMURPJB-UHFFFAOYSA-N
XLogP2.45
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.45
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-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one (CID 21073979) is 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one is CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O.
What is the InChIKey of 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one?
The InChIKey is DNDOVGZJMURPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-2-25-18(27)16(13-6-7-15(26)24(11-13)9-8-20)17(23-19(25)22)12-4-3-5-14(21)10-12/h3-7,10-11H,2,8-9H2,1H3,(H2,22,23).
What are the key properties of 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one?
2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one has a molecular weight of 372.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)pyrimidin-4-one is sourced from PubChem (CID 21073979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).