6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C22H23FN4O2 — CID 46345975

IUPAC6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1
InChIInChI=1S/C22H23FN4O2/c1-28-19-7-8-21(29-2)15(11-19)13-27-10-9-20-16(14-27)12-24-22(26-20)25-18-5-3-17(23)4-6-18/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,26)
InChIKeyQZXZLOQDMZKHMY-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.93
Rot. Bonds6

About 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 46345975) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID46345975
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1
InChIInChI=1S/C22H23FN4O2/c1-28-19-7-8-21(29-2)15(11-19)13-27-10-9-20-16(14-27)12-24-22(26-20)25-18-5-3-17(23)4-6-18/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,26)
InChIKeyQZXZLOQDMZKHMY-UHFFFAOYSA-N
XLogP3.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 46345975) is 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(OC)c(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1.
What is the InChIKey of 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is QZXZLOQDMZKHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-28-19-7-8-21(29-2)15(11-19)13-27-10-9-20-16(14-27)12-24-22(26-20)25-18-5-3-17(23)4-6-18/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 394.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46345975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).