7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H28ClN5O2 — CID 163532194

IUPAC7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(Cl)c(C)c3nc(C4CCC(C)CC4)nn23)c(OC)c1
InChIInChI=1S/C22H28ClN5O2/c1-13-5-7-15(8-6-13)20-26-21-14(2)19(23)25-22(28(21)27-20)24-12-16-9-10-17(29-3)11-18(16)30-4/h9-11,13,15H,5-8,12H2,1-4H3,(H,24,25)
InChIKeyDTXPTZHQKNBRED-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.01
Rot. Bonds6

About 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 163532194) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID163532194
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(Cl)c(C)c3nc(C4CCC(C)CC4)nn23)c(OC)c1
InChIInChI=1S/C22H28ClN5O2/c1-13-5-7-15(8-6-13)20-26-21-14(2)19(23)25-22(28(21)27-20)24-12-16-9-10-17(29-3)11-18(16)30-4/h9-11,13,15H,5-8,12H2,1-4H3,(H,24,25)
InChIKeyDTXPTZHQKNBRED-UHFFFAOYSA-N
XLogP5.01
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-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 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 163532194) is 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CNc2nc(Cl)c(C)c3nc(C4CCC(C)CC4)nn23)c(OC)c1.
What is the InChIKey of 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is DTXPTZHQKNBRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-13-5-7-15(8-6-13)20-26-21-14(2)19(23)25-22(28(21)27-20)24-12-16-9-10-17(29-3)11-18(16)30-4/h9-11,13,15H,5-8,12H2,1-4H3,(H,24,25).
What are the key properties of 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 429.95 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 163532194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).