5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine

C25H30N6O2 — CID 155561991

IUPAC5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccc(NCC5CCOCC5)nc4)c3C2)cc1C
InChIInChI=1S/C25H30N6O2/c1-17-11-20(14-28-25(17)32-2)31-8-5-22-21(15-31)24(30-16-29-22)19-3-4-23(27-13-19)26-12-18-6-9-33-10-7-18/h3-4,11,13-14,16,18H,5-10,12,15H2,1-2H3,(H,26,27)
InChIKeyBPSGDTCNRHWJQU-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.65
Rot. Bonds6

About 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine

5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 155561991) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID155561991
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccc(NCC5CCOCC5)nc4)c3C2)cc1C
InChIInChI=1S/C25H30N6O2/c1-17-11-20(14-28-25(17)32-2)31-8-5-22-21(15-31)24(30-16-29-22)19-3-4-23(27-13-19)26-12-18-6-9-33-10-7-18/h3-4,11,13-14,16,18H,5-10,12,15H2,1-2H3,(H,26,27)
InChIKeyBPSGDTCNRHWJQU-UHFFFAOYSA-N
XLogP3.65
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine 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 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 155561991) is 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine is COc1ncc(N2CCc3ncnc(-c4ccc(NCC5CCOCC5)nc4)c3C2)cc1C.
What is the InChIKey of 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is BPSGDTCNRHWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-11-20(14-28-25(17)32-2)31-8-5-22-21(15-31)24(30-16-29-22)19-3-4-23(27-13-19)26-12-18-6-9-33-10-7-18/h3-4,11,13-14,16,18H,5-10,12,15H2,1-2H3,(H,26,27).
What are the key properties of 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 446.56 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 155561991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).