4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine

C14H22N6O — CID 79733828

IUPAC4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCCn1ccnc1Cc1nc(NCC)nc(OCC)n1
InChIInChI=1S/C14H22N6O/c1-4-8-20-9-7-16-12(20)10-11-17-13(15-5-2)19-14(18-11)21-6-3/h7,9H,4-6,8,10H2,1-3H3,(H,15,17,18,19)
InChIKeyKYIATAXMWWFHPQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.90
Rot. Bonds8

About 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine

4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 79733828) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID79733828
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCCn1ccnc1Cc1nc(NCC)nc(OCC)n1
InChIInChI=1S/C14H22N6O/c1-4-8-20-9-7-16-12(20)10-11-17-13(15-5-2)19-14(18-11)21-6-3/h7,9H,4-6,8,10H2,1-3H3,(H,15,17,18,19)
InChIKeyKYIATAXMWWFHPQ-UHFFFAOYSA-N
XLogP1.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
CID 80857032
4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 79738059
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79738576
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80809601
N-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 79738564
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79734742

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine (CID 79733828) is 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine is CCCn1ccnc1Cc1nc(NCC)nc(OCC)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is KYIATAXMWWFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-8-20-9-7-16-12(20)10-11-17-13(15-5-2)19-14(18-11)21-6-3/h7,9H,4-6,8,10H2,1-3H3,(H,15,17,18,19).
What are the key properties of 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 79733828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).