2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one

C23H32N4O — CID 11639510

IUPAC2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C
InChIInChI=1S/C23H32N4O/c1-8-10-27(11-9-2)23-24-21-20(22(28)26(23)7)18(14-25(21)6)19-16(4)12-15(3)13-17(19)5/h12-14H,8-11H2,1-7H3
InChIKeyRXFHTXAPXGDKTG-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.49
Rot. Bonds6

About 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one

2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 11639510) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID11639510
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C
InChIInChI=1S/C23H32N4O/c1-8-10-27(11-9-2)23-24-21-20(22(28)26(23)7)18(14-25(21)6)19-16(4)12-15(3)13-17(19)5/h12-14H,8-11H2,1-7H3
InChIKeyRXFHTXAPXGDKTG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 11639510) is 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one is CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C.
What is the InChIKey of 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RXFHTXAPXGDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-8-10-27(11-9-2)23-24-21-20(22(28)26(23)7)18(14-25(21)6)19-16(4)12-15(3)13-17(19)5/h12-14H,8-11H2,1-7H3.
What are the key properties of 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[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 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).