4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 80778958

IUPAC4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCn2ccnc2)nc(OC(C)C)n1
InChIInChI=1S/C13H21N7O/c1-4-15-11-17-12(19-13(18-11)21-10(2)3)16-6-8-20-7-5-14-9-20/h5,7,9-10H,4,6,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyVWWYNHNBMZWYON-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.40
Rot. Bonds8

About 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80778958) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80778958
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCn2ccnc2)nc(OC(C)C)n1
InChIInChI=1S/C13H21N7O/c1-4-15-11-17-12(19-13(18-11)21-10(2)3)16-6-8-20-7-5-14-9-20/h5,7,9-10H,4,6,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyVWWYNHNBMZWYON-UHFFFAOYSA-N
XLogP1.40
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80809601
6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80802958
4-N-ethyl-6-propan-2-yloxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803986
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783995
2-N-(1-methylpyrazol-3-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836931
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
N-ethyl-4-imidazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80871046
4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80820066
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80778958) is 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCn2ccnc2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is VWWYNHNBMZWYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-15-11-17-12(19-13(18-11)21-10(2)3)16-6-8-20-7-5-14-9-20/h5,7,9-10H,4,6,8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).