6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C18H18F2N4O3 — CID 20626846

IUPAC6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21
InChIInChI=1S/C18H18F2N4O3/c1-18(2,9-25)23-17-21-8-10-6-14(16(26)24(3)15(10)22-17)27-13-5-4-11(19)7-12(13)20/h4-8,25H,9H2,1-3H3,(H,21,22,23)
InChIKeyJKNVMEDXAYWIMH-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.58
Rot. Bonds5

About 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626846) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID20626846
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21
InChIInChI=1S/C18H18F2N4O3/c1-18(2,9-25)23-17-21-8-10-6-14(16(26)24(3)15(10)22-17)27-13-5-4-11(19)7-12(13)20/h4-8,25H,9H2,1-3H3,(H,21,22,23)
InChIKeyJKNVMEDXAYWIMH-UHFFFAOYSA-N
XLogP2.58
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[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
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-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517631
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)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 20626846) is 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21.
What is the InChIKey of 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JKNVMEDXAYWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-18(2,9-25)23-17-21-8-10-6-14(16(26)24(3)15(10)22-17)27-13-5-4-11(19)7-12(13)20/h4-8,25H,9H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 376.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).