[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone

C25H27N5O — CID 110265922

IUPAC[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone
SMILESCNc1nc(C2CCCN2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C25H27N5O/c1-26-23-20-13-15-30(16-22(20)28-24(29-23)21-12-7-14-27-21)25(31)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,21,27H,7,12-16H2,1H3,(H,26,28,29)
InChIKeyAFUMEXZVAPDLCV-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.81
Rot. Bonds4

About [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone

[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone (PubChem CID 110265922) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone
PubChem CID110265922
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone
SMILESCNc1nc(C2CCCN2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C25H27N5O/c1-26-23-20-13-15-30(16-22(20)28-24(29-23)21-12-7-14-27-21)25(31)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,21,27H,7,12-16H2,1H3,(H,26,28,29)
InChIKeyAFUMEXZVAPDLCV-UHFFFAOYSA-N
XLogP3.81
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-2-methyl-1-[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
CID 110266011
2-(4-methoxyphenoxy)-2-methyl-1-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
CID 92623004
7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 118741824
7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110266016
4-(4-fluoro-3-methylphenyl)-1-[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
CID 110266002
2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone
CID 92625684
(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 110265779
1-[3-[7-(2-methoxy-3-methylbenzoyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265780
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
1-[4-(methylamino)-2-[(3R)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 124964878
1-[4-(methylamino)-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 110248761
1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265726

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone (CID 110265922) is [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone is CNc1nc(C2CCCN2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2.
What is the InChIKey of [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone?
The InChIKey is AFUMEXZVAPDLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-26-23-20-13-15-30(16-22(20)28-24(29-23)21-12-7-14-27-21)25(31)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,21,27H,7,12-16H2,1H3,(H,26,28,29).
What are the key properties of [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone?
[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone has a molecular weight of 413.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 110265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).