2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine

C20H26N6 — CID 90466127

IUPAC2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESC=Cc1cccc(-c2nc(N[C@H](C)C3CC3)nc(N[C@H](C)C3CC3)n2)n1
InChIInChI=1S/C20H26N6/c1-4-16-6-5-7-17(23-16)18-24-19(21-12(2)14-8-9-14)26-20(25-18)22-13(3)15-10-11-15/h4-7,12-15H,1,8-11H2,2-3H3,(H2,21,22,24,25,26)/t12-,13-/m1/s1
InChIKeyOYMZLJQIWORYFQ-CHWSQXEVSA-N
MW350.47 g/mol
LogP4.00
Rot. Bonds8

About 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine (PubChem CID 90466127) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
PubChem CID90466127
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESC=Cc1cccc(-c2nc(N[C@H](C)C3CC3)nc(N[C@H](C)C3CC3)n2)n1
InChIInChI=1S/C20H26N6/c1-4-16-6-5-7-17(23-16)18-24-19(21-12(2)14-8-9-14)26-20(25-18)22-13(3)15-10-11-15/h4-7,12-15H,1,8-11H2,2-3H3,(H2,21,22,24,25,26)/t12-,13-/m1/s1
InChIKeyOYMZLJQIWORYFQ-CHWSQXEVSA-N
XLogP4.00
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine (CID 90466127) is 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine is C=Cc1cccc(-c2nc(N[C@H](C)C3CC3)nc(N[C@H](C)C3CC3)n2)n1.
What is the InChIKey of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OYMZLJQIWORYFQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H26N6/c1-4-16-6-5-7-17(23-16)18-24-19(21-12(2)14-8-9-14)26-20(25-18)22-13(3)15-10-11-15/h4-7,12-15H,1,8-11H2,2-3H3,(H2,21,22,24,25,26)/t12-,13-/m1/s1.
What are the key properties of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 350.47 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(6-ethenyl-2-pyridinyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90466127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).