2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C14H27N5O — CID 80820590

IUPAC2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(NCC)nc(OC)n1)C(C)CC
InChIInChI=1S/C14H27N5O/c1-6-9-10-19(11(4)7-2)13-16-12(15-8-3)17-14(18-13)20-5/h11H,6-10H2,1-5H3,(H,15,16,17,18)
InChIKeyFYLCCEQAAWXBLQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.72
Rot. Bonds9

About 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80820590) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80820590
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(NCC)nc(OC)n1)C(C)CC
InChIInChI=1S/C14H27N5O/c1-6-9-10-19(11(4)7-2)13-16-12(15-8-3)17-14(18-13)20-5/h11H,6-10H2,1-5H3,(H,15,16,17,18)
InChIKeyFYLCCEQAAWXBLQ-UHFFFAOYSA-N
XLogP2.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-butan-2-yl-4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821053
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776462
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80787122
4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821370
2-[butyl-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80820628
2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815170
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
CID 80861953

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80820590) is 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(NCC)nc(OC)n1)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FYLCCEQAAWXBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-9-10-19(11(4)7-2)13-16-12(15-8-3)17-14(18-13)20-5/h11H,6-10H2,1-5H3,(H,15,16,17,18).
What are the key properties of 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).