5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine

C18H14ClN7O2 — CID 155529111

IUPAC5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(Oc2nc(Nc3ccc(-c4nn[nH]n4)cc3)ncc2Cl)cc1
InChIInChI=1S/C18H14ClN7O2/c1-27-13-6-8-14(9-7-13)28-17-15(19)10-20-18(22-17)21-12-4-2-11(3-5-12)16-23-25-26-24-16/h2-10H,1H3,(H,20,21,22)(H,23,24,25,26)
InChIKeySABABAUUBNVNGG-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.85
Rot. Bonds6

About 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine

5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine (PubChem CID 155529111) has the molecular formula C18H14ClN7O2 and a molecular weight of 395.81 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine
PubChem CID155529111
Molecular FormulaC18H14ClN7O2
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(Oc2nc(Nc3ccc(-c4nn[nH]n4)cc3)ncc2Cl)cc1
InChIInChI=1S/C18H14ClN7O2/c1-27-13-6-8-14(9-7-13)28-17-15(19)10-20-18(22-17)21-12-4-2-11(3-5-12)16-23-25-26-24-16/h2-10H,1H3,(H,20,21,22)(H,23,24,25,26)
InChIKeySABABAUUBNVNGG-UHFFFAOYSA-N
XLogP3.85
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-4-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine
CID 155516408
5-chloro-4-(4-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine
CID 155538361
5-chloro-2-(4-methoxyphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]pyridin-4-amine
CID 57397862
5-chloro-2-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidine-2,4-diamine
CID 168269307
5-chloro-2-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-N-[2-(1-methyltetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 168282303
5-chloro-2-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-N-[2-(2-methyltetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 168284449
5-[4-(2-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
CID 53475862
5-[3-(2-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
CID 68249864
N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
CID 89568111
4-(3-aminophenoxy)-5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]pyrimidin-2-amine
CID 141416549
4-(3-aminophenoxy)-5-chloro-N-[(E)-(2-fluorophenyl)methylideneamino]pyrimidin-2-amine
CID 141416570
ethane;5-[4-(2-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
CID 144256671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine (CID 155529111) is 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine is COc1ccc(Oc2nc(Nc3ccc(-c4nn[nH]n4)cc3)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine?
The InChIKey is SABABAUUBNVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O2/c1-27-13-6-8-14(9-7-13)28-17-15(19)10-20-18(22-17)21-12-4-2-11(3-5-12)16-23-25-26-24-16/h2-10H,1H3,(H,20,21,22)(H,23,24,25,26).
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine?
5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine has a molecular weight of 395.81 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxyphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 155529111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).