2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H25N5O — CID 80850266

IUPAC2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(CC)CC(C)CC)n1
InChIInChI=1S/C13H25N5O/c1-5-8-19-13-16-11(14)15-12(17-13)18(7-3)9-10(4)6-2/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyOPTRJULOBGZWNL-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.12
Rot. Bonds8

About 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80850266) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80850266
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(CC)CC(C)CC)n1
InChIInChI=1S/C13H25N5O/c1-5-8-19-13-16-11(14)15-12(17-13)18(7-3)9-10(4)6-2/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyOPTRJULOBGZWNL-UHFFFAOYSA-N
XLogP2.12
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80930026
2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835269
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849489
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 80796977
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80850266) is 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(CC)CC(C)CC)n1.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is OPTRJULOBGZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-8-19-13-16-11(14)15-12(17-13)18(7-3)9-10(4)6-2/h10H,5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80850266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).