5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one

C20H24N6O2 — CID 135870859

IUPAC5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESNCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nc[nH]c(=O)c12
InChIInChI=1S/C20H24N6O2/c21-6-1-7-22-19-18-17(23-13-24-20(18)27)12-16(25-19)14-2-4-15(5-3-14)26-8-10-28-11-9-26/h2-5,12-13H,1,6-11,21H2,(H,22,25)(H,23,24,27)
InChIKeyBYMJZBWBTRKYPO-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.58
Rot. Bonds6

About 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one

5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135870859) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135870859
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESNCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nc[nH]c(=O)c12
InChIInChI=1S/C20H24N6O2/c21-6-1-7-22-19-18-17(23-13-24-20(18)27)12-16(25-19)14-2-4-15(5-3-14)26-8-10-28-11-9-26/h2-5,12-13H,1,6-11,21H2,(H,22,25)(H,23,24,27)
InChIKeyBYMJZBWBTRKYPO-UHFFFAOYSA-N
XLogP1.58
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137125492
5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870882
7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
CID 71113456
5-(1,3-dioxolan-2-ylmethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959637
5-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959825
3-methyl-5-(methylamino)-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123985024
3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
CID 135870890
5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959821
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
CID 66959604
2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 58398133

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135870859) is 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one is NCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nc[nH]c(=O)c12.
What is the InChIKey of 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BYMJZBWBTRKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c21-6-1-7-22-19-18-17(23-13-24-20(18)27)12-16(25-19)14-2-4-15(5-3-14)26-8-10-28-11-9-26/h2-5,12-13H,1,6-11,21H2,(H,22,25)(H,23,24,27).
What are the key properties of 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135870859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).