5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H23N5O2 — CID 133491841

IUPAC5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC2(c3ccccc3OC)CCC2)n2ncnc2n1
InChIInChI=1S/C19H23N5O2/c1-25-11-14-10-17(24-18(23-14)21-13-22-24)20-12-19(8-5-9-19)15-6-3-4-7-16(15)26-2/h3-4,6-7,10,13,20H,5,8-9,11-12H2,1-2H3
InChIKeyUUEUKYSTCQAMSE-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.81
Rot. Bonds7

About 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133491841) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133491841
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC2(c3ccccc3OC)CCC2)n2ncnc2n1
InChIInChI=1S/C19H23N5O2/c1-25-11-14-10-17(24-18(23-14)21-13-22-24)20-12-19(8-5-9-19)15-6-3-4-7-16(15)26-2/h3-4,6-7,10,13,20H,5,8-9,11-12H2,1-2H3
InChIKeyUUEUKYSTCQAMSE-UHFFFAOYSA-N
XLogP2.81
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
2-[1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclobutyl]ethanol
CID 133376094
5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311521
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
N-[2-(2,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291686
N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274816
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477232
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
CID 133314695
4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 133491901

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133491841) is 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCC2(c3ccccc3OC)CCC2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UUEUKYSTCQAMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-25-11-14-10-17(24-18(23-14)21-13-22-24)20-12-19(8-5-9-19)15-6-3-4-7-16(15)26-2/h3-4,6-7,10,13,20H,5,8-9,11-12H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133491841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).