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

C17H16F2N4O2 — CID 44517631

IUPAC6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
InChIInChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22)
InChIKeyHAVJVJFXQRMACG-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.22
Rot. Bonds4

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

6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 44517631) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID44517631
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
InChIInChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22)
InChIKeyHAVJVJFXQRMACG-UHFFFAOYSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Pamapimod
CID 16220188
R-1487
CID 11406590
6-(2,4-Difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one hydrochloride
CID 54580957
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58
CID 5330244
8-ethyl-2-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330209
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59
CID 5330245
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 60
CID 5330246
8-Methyl-6-Phenoxy-2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 23434577
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517630
6-(2,4-Difluorophenoxy)-8-ethyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434538

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 44517631) is 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is CC(C)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HAVJVJFXQRMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22).
What are the key properties of 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 346.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 44517631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).