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

C24H34N4O — CID 54585865

IUPAC2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)c(C)n2C)c(=O)n1C
InChIInChI=1S/C24H34N4O/c1-9-11-28(12-10-2)24-25-22-21(23(29)27(24)8)20(18(6)26(22)7)19-16(4)13-15(3)14-17(19)5/h13-14H,9-12H2,1-8H3
InChIKeyYJJWTYBCQTVPNB-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.80
Rot. Bonds6

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

2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 54585865) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID54585865
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)c(C)n2C)c(=O)n1C
InChIInChI=1S/C24H34N4O/c1-9-11-28(12-10-2)24-25-22-21(23(29)27(24)8)20(18(6)26(22)7)19-16(4)13-15(3)14-17(19)5/h13-14H,9-12H2,1-8H3
InChIKeyYJJWTYBCQTVPNB-UHFFFAOYSA-N
XLogP4.80
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 54585865) is 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one is CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)c(C)n2C)c(=O)n1C.
What is the InChIKey of 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YJJWTYBCQTVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-9-11-28(12-10-2)24-25-22-21(23(29)27(24)8)20(18(6)26(22)7)19-16(4)13-15(3)14-17(19)5/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 394.56 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-3,6,7-trimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 54585865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).