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

C19H31N5 — CID 155558396

IUPAC6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(C2CCCCC2)n1)C1CC1
InChIInChI=1S/C19H31N5/c1-12(14-8-9-14)20-18-22-17(16-6-4-3-5-7-16)23-19(24-18)21-13(2)15-10-11-15/h12-16H,3-11H2,1-2H3,(H2,20,21,22,23,24)/t12-,13-/m1/s1
InChIKeyNEZZNDXJKPHXFM-CHWSQXEVSA-N
MW329.49 g/mol
LogP4.34
Rot. Bonds7

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

6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 155558396) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
PubChem CID155558396
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(C2CCCCC2)n1)C1CC1
InChIInChI=1S/C19H31N5/c1-12(14-8-9-14)20-18-22-17(16-6-4-3-5-7-16)23-19(24-18)21-13(2)15-10-11-15/h12-16H,3-11H2,1-2H3,(H2,20,21,22,23,24)/t12-,13-/m1/s1
InChIKeyNEZZNDXJKPHXFM-CHWSQXEVSA-N
XLogP4.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine (CID 155558396) is 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(C2CCCCC2)n1)C1CC1.
What is the InChIKey of 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NEZZNDXJKPHXFM-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H31N5/c1-12(14-8-9-14)20-18-22-17(16-6-4-3-5-7-16)23-19(24-18)21-13(2)15-10-11-15/h12-16H,3-11H2,1-2H3,(H2,20,21,22,23,24)/t12-,13-/m1/s1.
What are the key properties of 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine?
6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 329.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155558396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).