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

C19H23N5O2 — CID 121320148

IUPACN-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C4CCCOC4)n3n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-10-17(15-4-3-9-26-12-15)24-19(21-13)22-18(23-24)20-11-14-5-7-16(25-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23)
InChIKeyWYTFRKXSBXBWLU-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.95
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320148) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320148
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C4CCCOC4)n3n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-10-17(15-4-3-9-26-12-15)24-19(21-13)22-18(23-24)20-11-14-5-7-16(25-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23)
InChIKeyWYTFRKXSBXBWLU-UHFFFAOYSA-N
XLogP2.95
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 121320247
5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 121320307
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
1-[4-[(4-methoxyphenyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 119059527
1-[4-[(4-methoxyphenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
CID 126424935
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
CID 65333930
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 122174850
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322458

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320148) is N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4CCCOC4)n3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is WYTFRKXSBXBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-10-17(15-4-3-9-26-12-15)24-19(21-13)22-18(23-24)20-11-14-5-7-16(25-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).