[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone

C20H24N4O — CID 56701162

IUPAC[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone
SMILESCc1cccc(-c2nc(N)nc3c2CN(C(=O)C2CCCC2)C3C)c1
InChIInChI=1S/C20H24N4O/c1-12-6-5-9-15(10-12)18-16-11-24(19(25)14-7-3-4-8-14)13(2)17(16)22-20(21)23-18/h5-6,9-10,13-14H,3-4,7-8,11H2,1-2H3,(H2,21,22,23)
InChIKeyPPRWPQWKWLGWHO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.63
Rot. Bonds2

About [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone

[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone (PubChem CID 56701162) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone
PubChem CID56701162
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone
SMILESCc1cccc(-c2nc(N)nc3c2CN(C(=O)C2CCCC2)C3C)c1
InChIInChI=1S/C20H24N4O/c1-12-6-5-9-15(10-12)18-16-11-24(19(25)14-7-3-4-8-14)13(2)17(16)22-20(21)23-18/h5-6,9-10,13-14H,3-4,7-8,11H2,1-2H3,(H2,21,22,23)
InChIKeyPPRWPQWKWLGWHO-UHFFFAOYSA-N
XLogP3.63
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone?
The IUPAC name of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone (CID 56701162) is [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone?
The canonical SMILES for [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone is Cc1cccc(-c2nc(N)nc3c2CN(C(=O)C2CCCC2)C3C)c1.
What is the InChIKey of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone?
The InChIKey is PPRWPQWKWLGWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12-6-5-9-15(10-12)18-16-11-24(19(25)14-7-3-4-8-14)13(2)17(16)22-20(21)23-18/h5-6,9-10,13-14H,3-4,7-8,11H2,1-2H3,(H2,21,22,23).
What are the key properties of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone?
[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone has a molecular weight of 336.44 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-cyclopentylmethanone is sourced from PubChem (CID 56701162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).