2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C17H24N6O — CID 944935

IUPAC2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)cc1
InChIInChI=1S/C17H24N6O/c1-12-7-9-23(10-8-12)11-15-20-16(18)22-17(21-15)19-13-3-5-14(24-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyCZPKYQONXSXVEL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.44
Rot. Bonds5

About 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 944935) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID944935
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)cc1
InChIInChI=1S/C17H24N6O/c1-12-7-9-23(10-8-12)11-15-20-16(18)22-17(21-15)19-13-3-5-14(24-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyCZPKYQONXSXVEL-UHFFFAOYSA-N
XLogP2.44
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 944935) is 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CZPKYQONXSXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-7-9-23(10-8-12)11-15-20-16(18)22-17(21-15)19-13-3-5-14(24-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 944935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).