6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine

C15H14FN5O — CID 139395999

IUPAC6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCNc1nc(-c2cccc(OC)c2F)cc2cnc(N)nc12
InChIInChI=1S/C15H14FN5O/c1-18-14-13-8(7-19-15(17)21-13)6-10(20-14)9-4-3-5-11(22-2)12(9)16/h3-7H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyVJKHUJAHWUOLOF-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.46
Rot. Bonds3

About 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine

6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 139395999) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID139395999
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCNc1nc(-c2cccc(OC)c2F)cc2cnc(N)nc12
InChIInChI=1S/C15H14FN5O/c1-18-14-13-8(7-19-15(17)21-13)6-10(20-14)9-4-3-5-11(22-2)12(9)16/h3-7H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyVJKHUJAHWUOLOF-UHFFFAOYSA-N
XLogP2.46
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine (CID 139395999) is 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine is CNc1nc(-c2cccc(OC)c2F)cc2cnc(N)nc12.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is VJKHUJAHWUOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-18-14-13-8(7-19-15(17)21-13)6-10(20-14)9-4-3-5-11(22-2)12(9)16/h3-7H,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine?
6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 299.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 139395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).