8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one

C17H24N4O3 — CID 178079149

IUPAC8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one
SMILESCOCCOC1CCC(Nc2cc(=O)n(C)c3cncnc23)CC1
InChIInChI=1S/C17H24N4O3/c1-21-15-10-18-11-19-17(15)14(9-16(21)22)20-12-3-5-13(6-4-12)24-8-7-23-2/h9-13,20H,3-8H2,1-2H3
InChIKeyMELXUTHJQINTKK-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.71
Rot. Bonds6

About 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one

8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one (PubChem CID 178079149) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one
PubChem CID178079149
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one
SMILESCOCCOC1CCC(Nc2cc(=O)n(C)c3cncnc23)CC1
InChIInChI=1S/C17H24N4O3/c1-21-15-10-18-11-19-17(15)14(9-16(21)22)20-12-3-5-13(6-4-12)24-8-7-23-2/h9-13,20H,3-8H2,1-2H3
InChIKeyMELXUTHJQINTKK-UHFFFAOYSA-N
XLogP1.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one?
The IUPAC name of 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one (CID 178079149) is 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one?
The canonical SMILES for 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one is COCCOC1CCC(Nc2cc(=O)n(C)c3cncnc23)CC1.
What is the InChIKey of 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one?
The InChIKey is MELXUTHJQINTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-21-15-10-18-11-19-17(15)14(9-16(21)22)20-12-3-5-13(6-4-12)24-8-7-23-2/h9-13,20H,3-8H2,1-2H3.
What are the key properties of 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one?
8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one has a molecular weight of 332.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(2-methoxyethoxy)cyclohexyl]amino]-5-methylpyrido[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 178079149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).