[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C34H42N10O5 — CID 90952070

IUPAC[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(C)c(C)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC
InChIInChI=1S/C17H21N5O3.C17H21N5O2/c1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-10-11(2)19-17(22-16(10)20-12(3)21-22)18-9-13-6-7-14(23-4)15(8-13)24-5/h5-7,23H,8-9H2,1-4H3,(H,18,19);6-8H,9H2,1-5H3,(H,18,19)
InChIKeyGVBSBGFMEXBILY-UHFFFAOYSA-N
MW670.78 g/mol
LogP4.54
Rot. Bonds11

About [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 90952070) has the molecular formula C34H42N10O5 and a molecular weight of 670.78 g/mol. Its IUPAC name is [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID90952070
Molecular FormulaC34H42N10O5
Molecular Weight670.78 g/mol
Exact Mass670.33
IUPAC Name[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(C)c(C)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC
InChIInChI=1S/C17H21N5O3.C17H21N5O2/c1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-10-11(2)19-17(22-16(10)20-12(3)21-22)18-9-13-6-7-14(23-4)15(8-13)24-5/h5-7,23H,8-9H2,1-4H3,(H,18,19);6-8H,9H2,1-5H3,(H,18,19)
InChIKeyGVBSBGFMEXBILY-UHFFFAOYSA-N
XLogP4.54
TPSA167.37 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.78
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
10-(3,4-dimethoxyphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10294046
N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 667174
7-(4-Benzylpiperazin-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4906885
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308813
8-[3-(3,4-Dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 9551326
N-(4-Ethoxy-3-methoxybenzyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 16028885
5-(4-amino-1-((S)-pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
CID 24905311
(R)-3-(4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylpropan-1-ol
CID 24905334
(S)-3-(4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylpropan-1-ol
CID 24905335
2-(3,4-Dimethoxy-phenyl)-6-ethyl-5-methyl-7-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidine
CID 648651

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 90952070) is [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CNc2nc(C)c(C)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC.
What is the InChIKey of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is GVBSBGFMEXBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.C17H21N5O2/c1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-10-11(2)19-17(22-16(10)20-12(3)21-22)18-9-13-6-7-14(23-4)15(8-13)24-5/h5-7,23H,8-9H2,1-4H3,(H,18,19);6-8H,9H2,1-5H3,(H,18,19).
What are the key properties of [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 670.78 g/mol, XLogP of 4.54, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 90952070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).