2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one

C19H25Cl2N3O — CID 22324320

IUPAC2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one
SMILESCCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)n(CC)c1=O
InChIInChI=1S/C19H25Cl2N3O/c1-5-10-23(11-6-2)17-13(4)22-18(24(7-3)19(17)25)15-9-8-14(20)12-16(15)21/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyCZZWROMXVJEUPV-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.17
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one

2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one (PubChem CID 22324320) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one
PubChem CID22324320
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one
SMILESCCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)n(CC)c1=O
InChIInChI=1S/C19H25Cl2N3O/c1-5-10-23(11-6-2)17-13(4)22-18(24(7-3)19(17)25)15-9-8-14(20)12-16(15)21/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyCZZWROMXVJEUPV-UHFFFAOYSA-N
XLogP5.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one (CID 22324320) is 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one is CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)n(CC)c1=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one?
The InChIKey is CZZWROMXVJEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O/c1-5-10-23(11-6-2)17-13(4)22-18(24(7-3)19(17)25)15-9-8-14(20)12-16(15)21/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one?
2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one has a molecular weight of 382.34 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(dipropylamino)-3-ethyl-6-methylpyrimidin-4-one is sourced from PubChem (CID 22324320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).