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

C24H28N6O2 — CID 155568388

IUPAC5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccc(NC5CCOCC5)nc4)c3C2)cc1C
InChIInChI=1S/C24H28N6O2/c1-16-11-19(13-26-24(16)31-2)30-8-5-21-20(14-30)23(28-15-27-21)17-3-4-22(25-12-17)29-18-6-9-32-10-7-18/h3-4,11-13,15,18H,5-10,14H2,1-2H3,(H,25,29)
InChIKeyLLHUWPULAPFPHO-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.40
Rot. Bonds5

About 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-yl)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-yl)pyridin-2-amine (PubChem CID 155568388) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 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-yl)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-yl)pyridin-2-amine
PubChem CID155568388
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccc(NC5CCOCC5)nc4)c3C2)cc1C
InChIInChI=1S/C24H28N6O2/c1-16-11-19(13-26-24(16)31-2)30-8-5-21-20(14-30)23(28-15-27-21)17-3-4-22(25-12-17)29-18-6-9-32-10-7-18/h3-4,11-13,15,18H,5-10,14H2,1-2H3,(H,25,29)
InChIKeyLLHUWPULAPFPHO-UHFFFAOYSA-N
XLogP3.40
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-yl)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-yl)pyridin-2-amine (CID 155568388) is 5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-yl)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-yl)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-yl)pyridin-2-amine is COc1ncc(N2CCc3ncnc(-c4ccc(NC5CCOCC5)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-yl)pyridin-2-amine?
The InChIKey is LLHUWPULAPFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-11-19(13-26-24(16)31-2)30-8-5-21-20(14-30)23(28-15-27-21)17-3-4-22(25-12-17)29-18-6-9-32-10-7-18/h3-4,11-13,15,18H,5-10,14H2,1-2H3,(H,25,29).
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-yl)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-yl)pyridin-2-amine has a molecular weight of 432.53 g/mol, XLogP of 3.40, 5 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-yl)pyridin-2-amine is sourced from PubChem (CID 155568388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).