1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol

C20H28N6O — CID 56867630

IUPAC1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
SMILESOC1CCCN(CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1
InChIInChI=1S/C20H28N6O/c27-16-5-2-10-26(14-16)11-3-8-23-20-17-6-9-22-13-18(17)24-19(25-20)15-4-1-7-21-12-15/h1,4,7,12,16,22,27H,2-3,5-6,8-11,13-14H2,(H,23,24,25)
InChIKeyUFUQFWRFTNEBLY-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.44
Rot. Bonds6

About 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol

1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol (PubChem CID 56867630) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
PubChem CID56867630
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
SMILESOC1CCCN(CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1
InChIInChI=1S/C20H28N6O/c27-16-5-2-10-26(14-16)11-3-8-23-20-17-6-9-22-13-18(17)24-19(25-20)15-4-1-7-21-12-15/h1,4,7,12,16,22,27H,2-3,5-6,8-11,13-14H2,(H,23,24,25)
InChIKeyUFUQFWRFTNEBLY-UHFFFAOYSA-N
XLogP1.44
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.44
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

N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 56754375
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56739355
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225639
1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56870477
6-benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 127040945
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethylamino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95527592
(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95217517
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229619

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
The IUPAC name of 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol (CID 56867630) is 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol is OC1CCCN(CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1.
What is the InChIKey of 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
The InChIKey is UFUQFWRFTNEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-16-5-2-10-26(14-16)11-3-8-23-20-17-6-9-22-13-18(17)24-19(25-20)15-4-1-7-21-12-15/h1,4,7,12,16,22,27H,2-3,5-6,8-11,13-14H2,(H,23,24,25).
What are the key properties of 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol has a molecular weight of 368.49 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol is sourced from PubChem (CID 56867630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).