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

C19H21F2N5O2 — CID 20626855

IUPAC6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccc(F)cc1F)c1cc2cnc(NC(C)(C)CO)nc2n(C)c1=O
InChIInChI=1S/C19H21F2N5O2/c1-19(2,10-27)24-18-22-9-11-7-15(17(28)26(4)16(11)23-18)25(3)14-6-5-12(20)8-13(14)21/h5-9,27H,10H2,1-4H3,(H,22,23,24)
InChIKeyPJDJRYSAKNLXBH-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.56
Rot. Bonds5

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

6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626855) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID20626855
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccc(F)cc1F)c1cc2cnc(NC(C)(C)CO)nc2n(C)c1=O
InChIInChI=1S/C19H21F2N5O2/c1-19(2,10-27)24-18-22-9-11-7-15(17(28)26(4)16(11)23-18)25(3)14-6-5-12(20)8-13(14)21/h5-9,27H,10H2,1-4H3,(H,22,23,24)
InChIKeyPJDJRYSAKNLXBH-UHFFFAOYSA-N
XLogP2.56
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 20626855) is 6-(2,4-difluoro-N-methylanilino)-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-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CN(c1ccc(F)cc1F)c1cc2cnc(NC(C)(C)CO)nc2n(C)c1=O.
What is the InChIKey of 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PJDJRYSAKNLXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-19(2,10-27)24-18-22-9-11-7-15(17(28)26(4)16(11)23-18)25(3)14-6-5-12(20)8-13(14)21/h5-9,27H,10H2,1-4H3,(H,22,23,24).
What are the key properties of 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 389.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-N-methylanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).