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

C20H20F2N4O3 — CID 23434538

IUPAC6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C20H20F2N4O3/c1-2-26-18-12(11-23-20(25-18)24-14-5-7-28-8-6-14)9-17(19(26)27)29-16-4-3-13(21)10-15(16)22/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,24,25)
InChIKeyXAMCPYSMGWIPDA-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.47
Rot. Bonds5

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

6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434538) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23434538
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C20H20F2N4O3/c1-2-26-18-12(11-23-20(25-18)24-14-5-7-28-8-6-14)9-17(19(26)27)29-16-4-3-13(21)10-15(16)22/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,24,25)
InChIKeyXAMCPYSMGWIPDA-UHFFFAOYSA-N
XLogP3.47
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 23434538) is 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XAMCPYSMGWIPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-2-26-18-12(11-23-20(25-18)24-14-5-7-28-8-6-14)9-17(19(26)27)29-16-4-3-13(21)10-15(16)22/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,24,25).
What are the key properties of 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 402.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).