8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one

C24H23FN4O2 — CID 59639582

IUPAC8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1c(C)cccc1C
InChIInChI=1S/C24H23FN4O2/c1-14-5-4-6-15(2)22(14)29-20(31)10-9-19-21(18-8-7-17(25)13-16(18)3)27-24(26-11-12-30)28-23(19)29/h4-10,13,30H,11-12H2,1-3H3,(H,26,27,28)
InChIKeyWYXVAJQFIWDWSF-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.92
Rot. Bonds5

About 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one

8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639582) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639582
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1c(C)cccc1C
InChIInChI=1S/C24H23FN4O2/c1-14-5-4-6-15(2)22(14)29-20(31)10-9-19-21(18-8-7-17(25)13-16(18)3)27-24(26-11-12-30)28-23(19)29/h4-10,13,30H,11-12H2,1-3H3,(H,26,27,28)
InChIKeyWYXVAJQFIWDWSF-UHFFFAOYSA-N
XLogP3.92
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59639582) is 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1c(C)cccc1C.
What is the InChIKey of 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WYXVAJQFIWDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14-5-4-6-15(2)22(14)29-20(31)10-9-19-21(18-8-7-17(25)13-16(18)3)27-24(26-11-12-30)28-23(19)29/h4-10,13,30H,11-12H2,1-3H3,(H,26,27,28).
What are the key properties of 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 418.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).