5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C20H24N6O2 — CID 66959207

IUPAC5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C20H24N6O2/c1-26-12-23-16-10-15(25-19(18(16)20(26)27)24-14-5-6-14)13-4-7-17(22-11-13)21-8-3-9-28-2/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyNGKBRBYGJKSMQE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds8

About 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959207) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959207
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C20H24N6O2/c1-26-12-23-16-10-15(25-19(18(16)20(26)27)24-14-5-6-14)13-4-7-17(22-11-13)21-8-3-9-28-2/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyNGKBRBYGJKSMQE-UHFFFAOYSA-N
XLogP2.41
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959207) is 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is COCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1.
What is the InChIKey of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NGKBRBYGJKSMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-26-12-23-16-10-15(25-19(18(16)20(26)27)24-14-5-6-14)13-4-7-17(22-11-13)21-8-3-9-28-2/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).