2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one

C24H24N4O — CID 71458816

IUPAC2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCC1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1
InChIKeyGQNKLNZBZDEAMD-GICMACPYSA-N
MW384.48 g/mol
LogP4.31
Rot. Bonds3

About 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 71458816) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID71458816
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCC1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1
InChIKeyGQNKLNZBZDEAMD-GICMACPYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 71458816) is 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is CC1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is GQNKLNZBZDEAMD-GICMACPYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1.
What are the key properties of 2-amino-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-[[(2R)-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-8-[[(2R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 71458816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).