1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C19H32N6O2 — CID 70755588

IUPAC1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NCCCN2CCCC(O)C2)C1
InChIInChI=1S/C19H32N6O2/c1-14(26)25-11-7-16-17(13-25)21-19(23(2)3)22-18(16)20-8-5-10-24-9-4-6-15(27)12-24/h15,27H,4-13H2,1-3H3,(H,20,21,22)
InChIKeyMNRJRXVESJTMQE-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.71
Rot. Bonds6

About 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 70755588) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID70755588
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NCCCN2CCCC(O)C2)C1
InChIInChI=1S/C19H32N6O2/c1-14(26)25-11-7-16-17(13-25)21-19(23(2)3)22-18(16)20-8-5-10-24-9-4-6-15(27)12-24/h15,27H,4-13H2,1-3H3,(H,20,21,22)
InChIKeyMNRJRXVESJTMQE-UHFFFAOYSA-N
XLogP0.71
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 70755588) is 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2NCCCN2CCCC(O)C2)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is MNRJRXVESJTMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-14(26)25-11-7-16-17(13-25)21-19(23(2)3)22-18(16)20-8-5-10-24-9-4-6-15(27)12-24/h15,27H,4-13H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 376.51 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 70755588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).