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

C19H23N5O — CID 121320307

IUPAC5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C2CCOCC2)n2nc(NCc3ccccc3C)nc2n1
InChIInChI=1S/C19H23N5O/c1-13-5-3-4-6-16(13)12-20-18-22-19-21-14(2)11-17(24(19)23-18)15-7-9-25-10-8-15/h3-6,11,15H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyACYMHENMNXANCW-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.25
Rot. Bonds4

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

5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320307) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320307
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C2CCOCC2)n2nc(NCc3ccccc3C)nc2n1
InChIInChI=1S/C19H23N5O/c1-13-5-3-4-6-16(13)12-20-18-22-19-21-14(2)11-17(24(19)23-18)15-7-9-25-10-8-15/h3-6,11,15H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyACYMHENMNXANCW-UHFFFAOYSA-N
XLogP3.25
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-benzylsulfanyl-7-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 19757484
1-[6-methyl-2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194099
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 121320297
4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
CID 78899337
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613
4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112854696

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320307) is 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C2CCOCC2)n2nc(NCc3ccccc3C)nc2n1.
What is the InChIKey of 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ACYMHENMNXANCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-5-3-4-6-16(13)12-20-18-22-19-21-14(2)11-17(24(19)23-18)15-7-9-25-10-8-15/h3-6,11,15H,7-10,12H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).