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

C18H19F2N5O2 — CID 23434539

IUPAC6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21
InChIInChI=1S/C18H19F2N5O2/c1-18(2,9-26)24-17-21-8-10-6-14(16(27)25(3)15(10)23-17)22-13-5-4-11(19)7-12(13)20/h4-8,22,26H,9H2,1-3H3,(H,21,23,24)
InChIKeyKPYXGYFUKKDVSF-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.53
Rot. Bonds5

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

6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434539) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID23434539
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21
InChIInChI=1S/C18H19F2N5O2/c1-18(2,9-26)24-17-21-8-10-6-14(16(27)25(3)15(10)23-17)22-13-5-4-11(19)7-12(13)20/h4-8,22,26H,9H2,1-3H3,(H,21,23,24)
InChIKeyKPYXGYFUKKDVSF-UHFFFAOYSA-N
XLogP2.53
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

benzyl N-(2,4-difluorophenyl)-N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]carbamate
CID 69318841
6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 158854556
2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
CID 43498840
2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
6-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992
2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434569
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 127042195
6-(2,4-difluorophenoxy)-8-methyl-2-[[(2R)-1-(tetrazol-2-yl)propan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 44517632
N-[2,4-difluoro-3-[2-(3-hydroxypropylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]propane-1-sulfonamide
CID 56955962
6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 23434556

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 23434539) is 6-(2,4-difluoroanilino)-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-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Nc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21.
What is the InChIKey of 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KPYXGYFUKKDVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-18(2,9-26)24-17-21-8-10-6-14(16(27)25(3)15(10)23-17)22-13-5-4-11(19)7-12(13)20/h4-8,22,26H,9H2,1-3H3,(H,21,23,24).
What are the key properties of 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 375.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).