2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C24H20ClFN4O — CID 18767997

IUPAC2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCc2ccccc2Cl)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H20ClFN4O/c1-30-23(31)21(17-6-8-19(26)9-7-17)22(18-10-13-27-14-11-18)29-24(30)28-15-12-16-4-2-3-5-20(16)25/h2-11,13-14H,12,15H2,1H3,(H,28,29)
InChIKeyPQFUBUWMEYGUMT-UHFFFAOYSA-N
MW434.90 g/mol
LogP4.96
Rot. Bonds6

About 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 18767997) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID18767997
Molecular FormulaC24H20ClFN4O
Molecular Weight434.90 g/mol
Exact Mass434.13
IUPAC Name2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCc2ccccc2Cl)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H20ClFN4O/c1-30-23(31)21(17-6-8-19(26)9-7-17)22(18-10-13-27-14-11-18)29-24(30)28-15-12-16-4-2-3-5-20(16)25/h2-11,13-14H,12,15H2,1H3,(H,28,29)
InChIKeyPQFUBUWMEYGUMT-UHFFFAOYSA-N
XLogP4.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 18767997) is 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCc2ccccc2Cl)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is PQFUBUWMEYGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c1-30-23(31)21(17-6-8-19(26)9-7-17)22(18-10-13-27-14-11-18)29-24(30)28-15-12-16-4-2-3-5-20(16)25/h2-11,13-14H,12,15H2,1H3,(H,28,29).
What are the key properties of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 434.90 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 18767997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).