4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C17H19N7 — CID 714180

IUPAC4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1nc(N2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H19N7/c1-22(14-7-3-2-4-8-14)15-19-16(23-10-5-6-11-23)21-17(20-15)24-12-9-18-13-24/h2-4,7-9,12-13H,5-6,10-11H2,1H3
InChIKeyBXSFUKRCGLOBQQ-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.43
Rot. Bonds4

About 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 714180) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID714180
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1nc(N2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H19N7/c1-22(14-7-3-2-4-8-14)15-19-16(23-10-5-6-11-23)21-17(20-15)24-12-9-18-13-24/h2-4,7-9,12-13H,5-6,10-11H2,1H3
InChIKeyBXSFUKRCGLOBQQ-UHFFFAOYSA-N
XLogP2.43
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 714180) is 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CN(c1ccccc1)c1nc(N2CCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BXSFUKRCGLOBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-22(14-7-3-2-4-8-14)15-19-16(23-10-5-6-11-23)21-17(20-15)24-12-9-18-13-24/h2-4,7-9,12-13H,5-6,10-11H2,1H3.
What are the key properties of 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 321.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 714180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).