N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine

C23H23Cl2N7O — CID 53320526

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)c3nn[nH]n3)c2)n1
InChIInChI=1S/C23H23Cl2N7O/c1-23(2,21-29-31-32-30-21)16-6-4-5-15(11-16)19-13-20(28-22(27-19)33-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyZFVUYHLQCIOXNZ-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.95
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine

N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine (PubChem CID 53320526) has the molecular formula C23H23Cl2N7O and a molecular weight of 484.39 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine
PubChem CID53320526
Molecular FormulaC23H23Cl2N7O
Molecular Weight484.39 g/mol
Exact Mass483.13
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)c3nn[nH]n3)c2)n1
InChIInChI=1S/C23H23Cl2N7O/c1-23(2,21-29-31-32-30-21)16-6-4-5-15(11-16)19-13-20(28-22(27-19)33-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyZFVUYHLQCIOXNZ-UHFFFAOYSA-N
XLogP4.95
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-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 N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine (CID 53320526) is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine is COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)c3nn[nH]n3)c2)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine?
The InChIKey is ZFVUYHLQCIOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N7O/c1-23(2,21-29-31-32-30-21)16-6-4-5-15(11-16)19-13-20(28-22(27-19)33-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)(H,29,30,31,32).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine has a molecular weight of 484.39 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 53320526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).