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

C18H26N6 — CID 71859877

IUPAC6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C2CCCN2Cc2nc(N)nc(N(C)C)n2)c1C
InChIInChI=1S/C18H26N6/c1-12-7-5-8-14(13(12)2)15-9-6-10-24(15)11-16-20-17(19)22-18(21-16)23(3)4/h5,7-8,15H,6,9-11H2,1-4H3,(H2,19,20,21,22)
InChIKeyVNEBZBIUBKQSJC-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.47
Rot. Bonds4

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

6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 71859877) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID71859877
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C2CCCN2Cc2nc(N)nc(N(C)C)n2)c1C
InChIInChI=1S/C18H26N6/c1-12-7-5-8-14(13(12)2)15-9-6-10-24(15)11-16-20-17(19)22-18(21-16)23(3)4/h5,7-8,15H,6,9-11H2,1-4H3,(H2,19,20,21,22)
InChIKeyVNEBZBIUBKQSJC-UHFFFAOYSA-N
XLogP2.47
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 71859877) is 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1cccc(C2CCCN2Cc2nc(N)nc(N(C)C)n2)c1C.
What is the InChIKey of 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VNEBZBIUBKQSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-12-7-5-8-14(13(12)2)15-9-6-10-24(15)11-16-20-17(19)22-18(21-16)23(3)4/h5,7-8,15H,6,9-11H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71859877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).