2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C18H18Cl2N4O — CID 5327871

IUPAC2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C18H18Cl2N4O/c1-3-4-8-21-18-22-10-11-9-12(17(25)24(2)16(11)23-18)15-13(19)6-5-7-14(15)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22,23)
InChIKeyQOSLUZXSYUGPOU-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.51
Rot. Bonds5

About 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327871) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327871
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C18H18Cl2N4O/c1-3-4-8-21-18-22-10-11-9-12(17(25)24(2)16(11)23-18)15-13(19)6-5-7-14(15)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22,23)
InChIKeyQOSLUZXSYUGPOU-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327871) is 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QOSLUZXSYUGPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-3-4-8-21-18-22-10-11-9-12(17(25)24(2)16(11)23-18)15-13(19)6-5-7-14(15)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 377.28 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).