2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine

C21H35N5 — CID 67592370

IUPAC2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(Nc2nc(NC3CCCCC3)nc(C3CCCCC3)n2)CC1
InChIInChI=1S/C21H35N5/c1-4-10-16(11-5-1)19-24-20(22-17-12-6-2-7-13-17)26-21(25-19)23-18-14-8-3-9-15-18/h16-18H,1-15H2,(H2,22,23,24,25,26)
InChIKeyUQLBSXJMRVJHOM-UHFFFAOYSA-N
MW357.55 g/mol
LogP5.41
Rot. Bonds5

About 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine

2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 67592370) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID67592370
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(Nc2nc(NC3CCCCC3)nc(C3CCCCC3)n2)CC1
InChIInChI=1S/C21H35N5/c1-4-10-16(11-5-1)19-24-20(22-17-12-6-2-7-13-17)26-21(25-19)23-18-14-8-3-9-15-18/h16-18H,1-15H2,(H2,22,23,24,25,26)
InChIKeyUQLBSXJMRVJHOM-UHFFFAOYSA-N
XLogP5.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.55
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine (CID 67592370) is 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine is C1CCC(Nc2nc(NC3CCCCC3)nc(C3CCCCC3)n2)CC1.
What is the InChIKey of 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UQLBSXJMRVJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-4-10-16(11-5-1)19-24-20(22-17-12-6-2-7-13-17)26-21(25-19)23-18-14-8-3-9-15-18/h16-18H,1-15H2,(H2,22,23,24,25,26).
What are the key properties of 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine?
2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 357.55 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-tricyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67592370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).