2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one

C23H22N4O — CID 11537968

IUPAC2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(C)cc(C)c2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C23H22N4O/c1-4-27-21-18(14-24-23(26-21)25-19-8-6-5-7-9-19)13-20(22(27)28)17-11-15(2)10-16(3)12-17/h5-14H,4H2,1-3H3,(H,24,25,26)
InChIKeyANZYDUHZJJDQHA-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.84
Rot. Bonds4

About 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11537968) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11537968
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(C)cc(C)c2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C23H22N4O/c1-4-27-21-18(14-24-23(26-21)25-19-8-6-5-7-9-19)13-20(22(27)28)17-11-15(2)10-16(3)12-17/h5-14H,4H2,1-3H3,(H,24,25,26)
InChIKeyANZYDUHZJJDQHA-UHFFFAOYSA-N
XLogP4.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 11537968) is 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cc(C)cc(C)c2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ANZYDUHZJJDQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-4-27-21-18(14-24-23(26-21)25-19-8-6-5-7-9-19)13-20(22(27)28)17-11-15(2)10-16(3)12-17/h5-14H,4H2,1-3H3,(H,24,25,26).
What are the key properties of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 370.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11537968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).