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

C15H17N5O — CID 666665

IUPACN-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C15H17N5O/c1-10-7-11(2)20-15(17-10)18-14(19-20)16-9-12-5-4-6-13(8-12)21-3/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyNMZBBVKWIGGGKY-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.36
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 666665) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID666665
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C15H17N5O/c1-10-7-11(2)20-15(17-10)18-14(19-20)16-9-12-5-4-6-13(8-12)21-3/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyNMZBBVKWIGGGKY-UHFFFAOYSA-N
XLogP2.36
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

Pexacerfont
CID 9884366
Bms-561388
CID 9908904
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 24948938
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
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
N-(4-methoxyphenyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
CID 9551399

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 666665) is N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is NMZBBVKWIGGGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-7-11(2)20-15(17-10)18-14(19-20)16-9-12-5-4-6-13(8-12)21-3/h4-8H,9H2,1-3H3,(H,16,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 666665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).