5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one

C22H33N3O — CID 22324340

IUPAC5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
SMILESCCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CC)c1=O
InChIInChI=1S/C22H33N3O/c1-8-11-24(12-9-2)20-18(7)23-21(25(10-3)22(20)26)19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3
InChIKeyNPPGFTISVXDAHZ-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.79
Rot. Bonds7

About 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one

5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one (PubChem CID 22324340) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
PubChem CID22324340
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
SMILESCCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CC)c1=O
InChIInChI=1S/C22H33N3O/c1-8-11-24(12-9-2)20-18(7)23-21(25(10-3)22(20)26)19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3
InChIKeyNPPGFTISVXDAHZ-UHFFFAOYSA-N
XLogP4.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Dipropylamino-3,6-dimethyl-2-(2,4,6-trimethyl-phenyl)-3H-pyrimidin-4-one
CID 44318119
5-(Dipropylamino)-6-methyl-3-(2-pyrrolidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)pyrimidin-4-one
CID 22324322
2-[[Ethyl-[(2-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45817996
6-ethyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenylpyrimidin-4(3H)-one
CID 49816721
6-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrimidin-4(3H)-one
CID 49816733
5-(dipropylamino)-4-methyl-2-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
CID 135553005
2-{6-Benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL}-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 53143469
9-[4-[1-(2,2-Difluoropropylamino)ethenyl]-3-methylphenyl]-2-(2-fluoropropan-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 138532213
2-(2-ethyl-3-fluorophenyl)-6-methyl-3-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]-5-pyrrolidin-1-ylpyrimidin-4-one
CID 143475016
2-(2-ethyl-3-fluorophenyl)-5,6-dimethyl-3-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]pyrimidin-4-one
CID 143475025
5-Amino-2-[2,5-bis(trifluoromethyl)phenyl]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 159502998
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,7-dimethyl-4-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]iminopyrido[3,4-d]pyrimidin-8-one
CID 171566497

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
The IUPAC name of 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one (CID 22324340) is 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one.
What is the SMILES notation for 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
The canonical SMILES for 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one is CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CC)c1=O.
What is the InChIKey of 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
The InChIKey is NPPGFTISVXDAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-8-11-24(12-9-2)20-18(7)23-21(25(10-3)22(20)26)19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3.
What are the key properties of 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one?
5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one has a molecular weight of 355.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-3-ethyl-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-one is sourced from PubChem (CID 22324340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).