2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C15H18N6O2 — CID 162654135

IUPAC2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1cc(OC)cc(-c2nc3cc(N(C)C)nc(N)n3n2)c1
InChIInChI=1S/C15H18N6O2/c1-20(2)12-8-13-17-14(19-21(13)15(16)18-12)9-5-10(22-3)7-11(6-9)23-4/h5-8H,1-4H3,(H2,16,18)
InChIKeyBTGJKEDJACVEEC-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.46
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 162654135) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID162654135
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1cc(OC)cc(-c2nc3cc(N(C)C)nc(N)n3n2)c1
InChIInChI=1S/C15H18N6O2/c1-20(2)12-8-13-17-14(19-21(13)15(16)18-12)9-5-10(22-3)7-11(6-9)23-4/h5-8H,1-4H3,(H2,16,18)
InChIKeyBTGJKEDJACVEEC-UHFFFAOYSA-N
XLogP1.46
TPSA90.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,5-Dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine
CID 24786010
N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25138077
Pyrazolo[1,5-a]-1,3,5-triazine, 12-21
CID 42618183
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
Pyrazolo[1,5-a]-1,3,5-triazine, 12-16
CID 9820671
Pyrazolo[1,5-a]-1,3,5-triazine, 12-14
CID 42618177
Pyrazolo[1,5-a]-1,3,5-triazine, 12-17
CID 42618179
Pyrazolo[1,5-a]-1,3,5-triazine, 12-18
CID 42618180
Pyrazolo[1,5-a]-1,3,5-triazine, 12-19
CID 42618181
Pyrazolo[1,5-a]-1,3,5-triazine, 12-20
CID 42618182
Pyrazolo[1,5-a]-1,3,5-triazine, 12-23
CID 42618185
Pyrazolo[1,5-a]-1,3,5-triazine, 12-24
CID 42618186

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 162654135) is 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COc1cc(OC)cc(-c2nc3cc(N(C)C)nc(N)n3n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is BTGJKEDJACVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-20(2)12-8-13-17-14(19-21(13)15(16)18-12)9-5-10(22-3)7-11(6-9)23-4/h5-8H,1-4H3,(H2,16,18).
What are the key properties of 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 314.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 162654135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).