5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine

C15H17N7 — CID 56886303

IUPAC5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(N)nc1)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H17N7/c1-21(9-12-7-17-15(16)18-8-12)10-13-11-22(20-19-13)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H2,16,17,18)
InChIKeyJQWGMJGIBMEFLN-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.27
Rot. Bonds5

About 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine

5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine (PubChem CID 56886303) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
PubChem CID56886303
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(N)nc1)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H17N7/c1-21(9-12-7-17-15(16)18-8-12)10-13-11-22(20-19-13)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H2,16,17,18)
InChIKeyJQWGMJGIBMEFLN-UHFFFAOYSA-N
XLogP1.27
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 101362186
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 95728045
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
(1-phenyltriazol-4-yl)methylazanium chloride
CID 82018236
4-butyl-1-phenyltriazole
CID 25191665
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 165454549
4-[2-(3,5-dimethylphenyl)ethyl]-1-phenyltriazole
CID 112717224
1-phenyl-4-prop-2-enyltriazole
CID 70124249
2-[butan-2-yl-[(1-phenyltriazol-4-yl)methyl]amino]acetic acid;hydrochloride
CID 91646080
N-[[1-(3-bromophenyl)triazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 131962780
4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol
CID 154781974

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine (CID 56886303) is 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine is CN(Cc1cnc(N)nc1)Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is JQWGMJGIBMEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-21(9-12-7-17-15(16)18-8-12)10-13-11-22(20-19-13)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H2,16,17,18).
What are the key properties of 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56886303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).