6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C20H20F2N4O2 — CID 20626917

IUPAC6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C20H20F2N4O2/c1-26-18-14(11-23-20(25-18)24-16-4-6-28-7-5-16)9-13(19(26)27)8-12-2-3-15(21)10-17(12)22/h2-3,9-11,16H,4-8H2,1H3,(H,23,24,25)
InChIKeyCXVKBXOZBZAXOY-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.79
Rot. Bonds4

About 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626917) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID20626917
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C20H20F2N4O2/c1-26-18-14(11-23-20(25-18)24-16-4-6-28-7-5-16)9-13(19(26)27)8-12-2-3-15(21)10-17(12)22/h2-3,9-11,16H,4-8H2,1H3,(H,23,24,25)
InChIKeyCXVKBXOZBZAXOY-UHFFFAOYSA-N
XLogP2.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 20626917) is 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Cc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CXVKBXOZBZAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-26-18-14(11-23-20(25-18)24-16-4-6-28-7-5-16)9-13(19(26)27)8-12-2-3-15(21)10-17(12)22/h2-3,9-11,16H,4-8H2,1H3,(H,23,24,25).
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 386.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).