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

C22H30N4O — CID 54580962

IUPAC5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)cn2C)c(=O)n1C
InChIInChI=1S/C22H30N4O/c1-7-11-26(12-8-2)22-23-20-19(21(27)25(22)6)18(14-24(20)5)17-10-9-15(3)13-16(17)4/h9-10,13-14H,7-8,11-12H2,1-6H3
InChIKeyLODORRWFKMRTAR-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.18
Rot. Bonds6

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

5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 54580962) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID54580962
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)cn2C)c(=O)n1C
InChIInChI=1S/C22H30N4O/c1-7-11-26(12-8-2)22-23-20-19(21(27)25(22)6)18(14-24(20)5)17-10-9-15(3)13-16(17)4/h9-10,13-14H,7-8,11-12H2,1-6H3
InChIKeyLODORRWFKMRTAR-UHFFFAOYSA-N
XLogP4.18
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one (CID 54580962) is 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one is CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)cn2C)c(=O)n1C.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is LODORRWFKMRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-7-11-26(12-8-2)22-23-20-19(21(27)25(22)6)18(14-24(20)5)17-10-9-15(3)13-16(17)4/h9-10,13-14H,7-8,11-12H2,1-6H3.
What are the key properties of 5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 366.51 g/mol, XLogP of 4.18, 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)-3,7-dimethylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 54580962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).