4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C20H23N5O2 — CID 171389388

IUPAC4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCN1CCC(Nc2nc(CCc3ccccc3)nc3c2CCNC3=O)C1=O
InChIInChI=1S/C20H23N5O2/c1-25-12-10-15(20(25)27)22-18-14-9-11-21-19(26)17(14)23-16(24-18)8-7-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3,(H,21,26)(H,22,23,24)
InChIKeySNJNDPOHNTVHLF-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.19
Rot. Bonds5

About 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171389388) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171389388
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCN1CCC(Nc2nc(CCc3ccccc3)nc3c2CCNC3=O)C1=O
InChIInChI=1S/C20H23N5O2/c1-25-12-10-15(20(25)27)22-18-14-9-11-21-19(26)17(14)23-16(24-18)8-7-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3,(H,21,26)(H,22,23,24)
InChIKeySNJNDPOHNTVHLF-UHFFFAOYSA-N
XLogP1.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387625
4-[3-(dimethylamino)azepan-1-yl]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389218
1-methyl-3-[(2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]pyrrolidin-2-one
CID 56896727
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389602
4-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389569
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133337105
3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258511
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257553
1-methyl-3-[(3-propoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106258259
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337054
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171389388) is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CN1CCC(Nc2nc(CCc3ccccc3)nc3c2CCNC3=O)C1=O.
What is the InChIKey of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is SNJNDPOHNTVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-12-10-15(20(25)27)22-18-14-9-11-21-19(26)17(14)23-16(24-18)8-7-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 365.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171389388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).