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

C18H26N6 — CID 893547

IUPAC2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)c1C
InChIInChI=1S/C18H26N6/c1-12-7-9-24(10-8-12)11-16-21-17(19)23-18(22-16)20-15-6-4-5-13(2)14(15)3/h4-6,12H,7-11H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyFOMQQZFCNFLKIW-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.05
Rot. Bonds4

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

2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 893547) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID893547
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)c1C
InChIInChI=1S/C18H26N6/c1-12-7-9-24(10-8-12)11-16-21-17(19)23-18(22-16)20-15-6-4-5-13(2)14(15)3/h4-6,12H,7-11H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyFOMQQZFCNFLKIW-UHFFFAOYSA-N
XLogP3.05
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 893547) is 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)c1C.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FOMQQZFCNFLKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-12-7-9-24(10-8-12)11-16-21-17(19)23-18(22-16)20-15-6-4-5-13(2)14(15)3/h4-6,12H,7-11H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 893547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).