6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 80751147

IUPAC6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)CCC)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-4-6-11(3)17-13-18-12(16-7-5-2)19-14(20-13)21-9-8-15-10-21/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyPZFYGLNZVNNDDW-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.48
Rot. Bonds8

About 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80751147) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80751147
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)CCC)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-4-6-11(3)17-13-18-12(16-7-5-2)19-14(20-13)21-9-8-15-10-21/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyPZFYGLNZVNNDDW-UHFFFAOYSA-N
XLogP2.48
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80908114
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295
6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
CID 80833674
2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783995

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80751147) is 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(C)CCC)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PZFYGLNZVNNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-4-6-11(3)17-13-18-12(16-7-5-2)19-14(20-13)21-9-8-15-10-21/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80751147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).