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

C21H21N7O2 — CID 53319216

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4nn[nH]n4)c3)nc(OC)n2)cc1
InChIInChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28)
InChIKeyVZAYIOWOPXUAJH-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.00
Rot. Bonds8

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 53319216) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID53319216
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4nn[nH]n4)c3)nc(OC)n2)cc1
InChIInChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28)
InChIKeyVZAYIOWOPXUAJH-UHFFFAOYSA-N
XLogP3.00
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-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

Related Compounds

CP-31398
CID 9950868
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
CID 53325847
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
(r)-6-(4-Methoxyphenyl)-n-(1-phenylethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53759588
CP 31398 Dihydrochloride
CID 56972205
N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)quinazolin-2-amine hydrochloride
CID 6602960
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
Pyrazolo[1,5-a]-1,3,5-triazine, 12-13
CID 42618176

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (CID 53319216) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cccc(-c4nn[nH]n4)c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is VZAYIOWOPXUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 403.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 53319216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).