4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine

C14H25N5O — CID 80837736

IUPAC4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C14H25N5O/c1-4-20-14-17-12(15)16-13(18-14)19-8-5-6-11(7-9-19)10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyYSABTLOPLHCWLF-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.12
Rot. Bonds4

About 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine

4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80837736) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
PubChem CID80837736
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C14H25N5O/c1-4-20-14-17-12(15)16-13(18-14)19-8-5-6-11(7-9-19)10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyYSABTLOPLHCWLF-UHFFFAOYSA-N
XLogP2.12
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine (CID 80837736) is 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(N2CCCC(C(C)C)CC2)n1.
What is the InChIKey of 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YSABTLOPLHCWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-20-14-17-12(15)16-13(18-14)19-8-5-6-11(7-9-19)10(2)3/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80837736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).