5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one

C26H40N4O — CID 22324322

IUPAC5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
SMILESCCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CCN2CCCC2)c1=O
InChIInChI=1S/C26H40N4O/c1-7-11-29(12-8-2)24-22(6)27-25(23-20(4)17-19(3)18-21(23)5)30(26(24)31)16-15-28-13-9-10-14-28/h17-18H,7-16H2,1-6H3
InChIKeyGAERPTHJTBWIOK-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.87
Rot. Bonds9

About 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one

5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one (PubChem CID 22324322) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
PubChem CID22324322
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC Name5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
SMILESCCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CCN2CCCC2)c1=O
InChIInChI=1S/C26H40N4O/c1-7-11-29(12-8-2)24-22(6)27-25(23-20(4)17-19(3)18-21(23)5)30(26(24)31)16-15-28-13-9-10-14-28/h17-18H,7-16H2,1-6H3
InChIKeyGAERPTHJTBWIOK-UHFFFAOYSA-N
XLogP4.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
The IUPAC name of 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one (CID 22324322) is 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one.
What is the SMILES notation for 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
The canonical SMILES for 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one is CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CCN2CCCC2)c1=O.
What is the InChIKey of 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
The InChIKey is GAERPTHJTBWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-7-11-29(12-8-2)24-22(6)27-25(23-20(4)17-19(3)18-21(23)5)30(26(24)31)16-15-28-13-9-10-14-28/h17-18H,7-16H2,1-6H3.
What are the key properties of 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one has a molecular weight of 424.63 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one is sourced from PubChem (CID 22324322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).