2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C15H19N5O2 — CID 171388561

IUPAC2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1CCC(CNc2nc(C3CC3)nc3c2CCNC3=O)N1
InChIInChI=1S/C15H19N5O2/c21-11-4-3-9(18-11)7-17-14-10-5-6-16-15(22)12(10)19-13(20-14)8-1-2-8/h8-9H,1-7H2,(H,16,22)(H,18,21)(H,17,19,20)
InChIKeyZDHJXGZNEDRZLP-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.33
Rot. Bonds4

About 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171388561) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171388561
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1CCC(CNc2nc(C3CC3)nc3c2CCNC3=O)N1
InChIInChI=1S/C15H19N5O2/c21-11-4-3-9(18-11)7-17-14-10-5-6-16-15(22)12(10)19-13(20-14)8-1-2-8/h8-9H,1-7H2,(H,16,22)(H,18,21)(H,17,19,20)
InChIKeyZDHJXGZNEDRZLP-UHFFFAOYSA-N
XLogP0.33
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387199
2-cyclopropyl-4-[[(1R,3S)-3-hydroxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387968
2-cyclopropyl-4-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386783
4-[[(2R)-3-(3-chloro-2-methylphenoxy)-2-hydroxypropyl]amino]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387267
2-cyclopropyl-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386634
2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385853
2-cyclopropyl-4-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387272
5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837147
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387414
(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 166271449
5-[[(3-bromo-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 106875761

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171388561) is 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1CCC(CNc2nc(C3CC3)nc3c2CCNC3=O)N1.
What is the InChIKey of 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is ZDHJXGZNEDRZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-11-4-3-9(18-11)7-17-14-10-5-6-16-15(22)12(10)19-13(20-14)8-1-2-8/h8-9H,1-7H2,(H,16,22)(H,18,21)(H,17,19,20).
What are the key properties of 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 301.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171388561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).