2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one

C24H24N4O — CID 46889043

IUPAC2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCC1CCC(C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27)
InChIKeyUMJOOJXWGPXRLE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.31
Rot. Bonds3

About 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889043) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889043
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCC1CCC(C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27)
InChIKeyUMJOOJXWGPXRLE-UHFFFAOYSA-N
XLogP4.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-phenyl-8-pyrrolidin-1-ylmethylindeno(1,2-d)pyrimidin-5-one
CID 46863665
2-Amino-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 10038941
2-Amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one
CID 25242240
9H-Indeno[2,1-d]pyrimidin-9-one, 2-phenyl-
CID 10244232
2-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 10753672
2-amino-8-((morpholinoamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 46889098
2-Amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one
CID 56954253
2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl-5H-indeno(1,2-d)pyrimidin-5-one
CID 25242440
2-amino-4-phenyl-8-((pyridin-2-ylmethylamino)methyl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 46889068
2-amino-4-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 17035744
2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 46861768
2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 46861769

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889043) is 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is CC1CCC(C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is UMJOOJXWGPXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27).
What are the key properties of 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 384.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).