4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H24N6 — CID 80834390

IUPAC4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCCN(c2nc(N)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H24N6/c1-11-5-4-9-20(10-6-11)14-17-12(15)16-13(18-14)19-7-2-3-8-19/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyCVZVHFOJXPEULE-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.68
Rot. Bonds2

About 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80834390) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80834390
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCCN(c2nc(N)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H24N6/c1-11-5-4-9-20(10-6-11)14-17-12(15)16-13(18-14)19-7-2-3-8-19/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyCVZVHFOJXPEULE-UHFFFAOYSA-N
XLogP1.68
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80834390) is 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CC1CCCN(c2nc(N)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CVZVHFOJXPEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-11-5-4-9-20(10-6-11)14-17-12(15)16-13(18-14)19-7-2-3-8-19/h11H,2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80834390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).