5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine

C15H15ClN6O — CID 57396769

IUPAC5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccc(Cl)cc3)nn2)c(N)n1
InChIInChI=1S/C15H15ClN6O/c1-10-18-6-11(15(17)19-10)7-22-8-13(20-21-22)9-23-14-4-2-12(16)3-5-14/h2-6,8H,7,9H2,1H3,(H2,17,18,19)
InChIKeyVXNDVDGSHXDPKZ-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.24
Rot. Bonds5

About 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine

5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 57396769) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID57396769
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccc(Cl)cc3)nn2)c(N)n1
InChIInChI=1S/C15H15ClN6O/c1-10-18-6-11(15(17)19-10)7-22-8-13(20-21-22)9-23-14-4-2-12(16)3-5-14/h2-6,8H,7,9H2,1H3,(H2,17,18,19)
InChIKeyVXNDVDGSHXDPKZ-UHFFFAOYSA-N
XLogP2.24
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (CID 57396769) is 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is Cc1ncc(Cn2cc(COc3ccc(Cl)cc3)nn2)c(N)n1.
What is the InChIKey of 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is VXNDVDGSHXDPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-10-18-6-11(15(17)19-10)7-22-8-13(20-21-22)9-23-14-4-2-12(16)3-5-14/h2-6,8H,7,9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 330.78 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 57396769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).