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

C21H21FN4O — CID 20960361

IUPAC6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2F)C3)cc1
InChIInChI=1S/C21H21FN4O/c1-27-18-8-6-17(7-9-18)24-21-23-12-16-14-26(11-10-20(16)25-21)13-15-4-2-3-5-19(15)22/h2-9,12H,10-11,13-14H2,1H3,(H,23,24,25)
InChIKeyHJGSLQBURCYTJL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.93
Rot. Bonds5

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

6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960361) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960361
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2F)C3)cc1
InChIInChI=1S/C21H21FN4O/c1-27-18-8-6-17(7-9-18)24-21-23-12-16-14-26(11-10-20(16)25-21)13-15-4-2-3-5-19(15)22/h2-9,12H,10-11,13-14H2,1H3,(H,23,24,25)
InChIKeyHJGSLQBURCYTJL-UHFFFAOYSA-N
XLogP3.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960361) is 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2F)C3)cc1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is HJGSLQBURCYTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-27-18-8-6-17(7-9-18)24-21-23-12-16-14-26(11-10-20(16)25-21)13-15-4-2-3-5-19(15)22/h2-9,12H,10-11,13-14H2,1H3,(H,23,24,25).
What are the key properties of 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 364.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).