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

C24H29F2N5O3 — CID 23434646

IUPAC6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)CCN(C)n1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C24H29F2N5O3/c1-15(2)6-9-30(3)31-22-16(14-27-24(29-22)28-18-7-10-33-11-8-18)12-21(23(31)32)34-20-5-4-17(25)13-19(20)26/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,28,29)
InChIKeyWFEATXSMOPKCTF-UHFFFAOYSA-N
MW473.52 g/mol
LogP4.07
Rot. Bonds8

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

6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434646) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23434646
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC Name6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)CCN(C)n1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C24H29F2N5O3/c1-15(2)6-9-30(3)31-22-16(14-27-24(29-22)28-18-7-10-33-11-8-18)12-21(23(31)32)34-20-5-4-17(25)13-19(20)26/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,28,29)
InChIKeyWFEATXSMOPKCTF-UHFFFAOYSA-N
XLogP4.07
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 23434646) is 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CC(C)CCN(C)n1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WFEATXSMOPKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-15(2)6-9-30(3)31-22-16(14-27-24(29-22)28-18-7-10-33-11-8-18)12-21(23(31)32)34-20-5-4-17(25)13-19(20)26/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,28,29).
What are the key properties of 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 473.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-[methyl(3-methylbutyl)amino]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).