N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C16H19N5O2 — CID 667174

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC
InChIInChI=1S/C16H19N5O2/c1-10-7-11(2)21-16(18-10)19-15(20-21)17-9-12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyAJSIKHVNDKINSB-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.37
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 667174) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID667174
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC
InChIInChI=1S/C16H19N5O2/c1-10-7-11(2)21-16(18-10)19-15(20-21)17-9-12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyAJSIKHVNDKINSB-UHFFFAOYSA-N
XLogP2.37
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
2-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]ethyl-diethyl-amine
CID 9550178
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 667174) is N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is AJSIKHVNDKINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-7-11(2)21-16(18-10)19-15(20-21)17-9-12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 313.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 667174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).