2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 80783995

IUPAC2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)Cn2ccnc2)nc(OC)n1
InChIInChI=1S/C13H21N7O/c1-4-5-15-11-17-12(19-13(18-11)21-3)16-10(2)8-20-7-6-14-9-20/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyGORLWJHOYNKQRL-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.40
Rot. Bonds8

About 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80783995) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80783995
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)Cn2ccnc2)nc(OC)n1
InChIInChI=1S/C13H21N7O/c1-4-5-15-11-17-12(19-13(18-11)21-3)16-10(2)8-20-7-6-14-9-20/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyGORLWJHOYNKQRL-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 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 62859672
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80778958
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
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
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80783995) is 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(C)Cn2ccnc2)nc(OC)n1.
What is the InChIKey of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GORLWJHOYNKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-5-15-11-17-12(19-13(18-11)21-3)16-10(2)8-20-7-6-14-9-20/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-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 2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80783995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).