5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one

C23H32N4O — CID 54586829

IUPAC5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)c(C)n2C)c(=O)n1C
InChIInChI=1S/C23H32N4O/c1-8-12-27(13-9-2)23-24-21-20(22(28)26(23)7)19(17(5)25(21)6)18-11-10-15(3)14-16(18)4/h10-11,14H,8-9,12-13H2,1-7H3
InChIKeyUDJXZALLWKIJIJ-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.49
Rot. Bonds6

About 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one

5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 54586829) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID54586829
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)c(C)n2C)c(=O)n1C
InChIInChI=1S/C23H32N4O/c1-8-12-27(13-9-2)23-24-21-20(22(28)26(23)7)19(17(5)25(21)6)18-11-10-15(3)14-16(18)4/h10-11,14H,8-9,12-13H2,1-7H3
InChIKeyUDJXZALLWKIJIJ-UHFFFAOYSA-N
XLogP4.49
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 11639510
2-(dibutylamino)-5-mesityl-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54580961
2-(bis(cyclopropylmethyl)amino)-5-mesityl-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54586828
2-Amino-5,6-bis(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100792
5-(2,4-bis(trifluoromethyl)phenyl)-2-(dipropylamino)-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54579975
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54580962
2-(diethylamino)-5-mesityl-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54582017
5-mesityl-3,7-dimethyl-2-(piperidin-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54582962
2-(dipropylamino)-5-mesityl-3,6,7-trimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54585865
5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135493493
2-(dipropylamino)-5-mesityl-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 136000673
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1-phenyl-3,6,7-trimethyl-
CID 218468

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one (CID 54586829) is 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one is CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)c(C)n2C)c(=O)n1C.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is UDJXZALLWKIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-8-12-27(13-9-2)23-24-21-20(22(28)26(23)7)19(17(5)25(21)6)18-11-10-15(3)14-16(18)4/h10-11,14H,8-9,12-13H2,1-7H3.
What are the key properties of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one?
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 380.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 54586829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).