4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C23H24N6O — CID 171907719

IUPAC4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc(CCNc2nc(-c3ccccc3)nc3c2CCNC3=O)nc2c1CCC2
InChIInChI=1S/C23H24N6O/c1-14-16-8-5-9-18(16)27-19(26-14)11-13-24-22-17-10-12-25-23(30)20(17)28-21(29-22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H,25,30)(H,24,28,29)
InChIKeyVMPZTEUEIVBVCX-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.67
Rot. Bonds5

About 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171907719) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171907719
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc(CCNc2nc(-c3ccccc3)nc3c2CCNC3=O)nc2c1CCC2
InChIInChI=1S/C23H24N6O/c1-14-16-8-5-9-18(16)27-19(26-14)11-13-24-22-17-10-12-25-23(30)20(17)28-21(29-22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H,25,30)(H,24,28,29)
InChIKeyVMPZTEUEIVBVCX-UHFFFAOYSA-N
XLogP2.67
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
4-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387625
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134705518
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138385058
4-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386121
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 131902037
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
N-ethyl-2-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190523
2-pyridin-3-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171912116
4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388865
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171907719) is 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is Cc1nc(CCNc2nc(-c3ccccc3)nc3c2CCNC3=O)nc2c1CCC2.
What is the InChIKey of 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is VMPZTEUEIVBVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-16-8-5-9-18(16)27-19(26-14)11-13-24-22-17-10-12-25-23(30)20(17)28-21(29-22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H,25,30)(H,24,28,29).
What are the key properties of 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 400.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171907719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).