2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C14H11F2N5O — CID 170437515

IUPAC2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(F)ccc(N)c2F)cc2cnc(N)nc21
InChIInChI=1S/C14H11F2N5O/c1-21-12-6(5-19-14(18)20-12)4-7(13(21)22)10-8(15)2-3-9(17)11(10)16/h2-5H,17H2,1H3,(H2,18,19,20)
InChIKeyUDENCIIVBLUWHM-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.44
Rot. Bonds1

About 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170437515) has the molecular formula C14H11F2N5O and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170437515
Molecular FormulaC14H11F2N5O
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(F)ccc(N)c2F)cc2cnc(N)nc21
InChIInChI=1S/C14H11F2N5O/c1-21-12-6(5-19-14(18)20-12)4-7(13(21)22)10-8(15)2-3-9(17)11(10)16/h2-5H,17H2,1H3,(H2,18,19,20)
InChIKeyUDENCIIVBLUWHM-UHFFFAOYSA-N
XLogP1.44
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 170437515) is 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(F)ccc(N)c2F)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UDENCIIVBLUWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O/c1-21-12-6(5-19-14(18)20-12)4-7(13(21)22)10-8(15)2-3-9(17)11(10)16/h2-5H,17H2,1H3,(H2,18,19,20).
What are the key properties of 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 303.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170437515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).