N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

C19H22Cl2N8O — CID 53325826

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C19H22Cl2N8O/c1-30-19-23-16(22-7-6-12-4-5-14(20)9-15(12)21)10-17(24-19)29-8-2-3-13(11-29)18-25-27-28-26-18/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,22,23,24)(H,25,26,27,28)
InChIKeyWIPUKXPYAIVMNH-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 53325826) has the molecular formula C19H22Cl2N8O and a molecular weight of 449.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID53325826
Molecular FormulaC19H22Cl2N8O
Molecular Weight449.35 g/mol
Exact Mass448.13
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C19H22Cl2N8O/c1-30-19-23-16(22-7-6-12-4-5-14(20)9-15(12)21)10-17(24-19)29-8-2-3-13(11-29)18-25-27-28-26-18/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,22,23,24)(H,25,26,27,28)
InChIKeyWIPUKXPYAIVMNH-UHFFFAOYSA-N
XLogP3.34
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]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-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine (CID 53325826) is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine is COc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCCC(c3nn[nH]n3)C2)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is WIPUKXPYAIVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N8O/c1-30-19-23-16(22-7-6-12-4-5-14(20)9-15(12)21)10-17(24-19)29-8-2-3-13(11-29)18-25-27-28-26-18/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,22,23,24)(H,25,26,27,28).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 449.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 53325826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).