N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline

C19H20N6 — CID 4265201

IUPACN,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESCc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H20N6/c1-13-4-6-14(7-5-13)17-12-18(25-19(20-17)21-22-23-25)15-8-10-16(11-9-15)24(2)3/h4-12,18H,1-3H3,(H,20,21,23)
InChIKeyIGPQRWQMGLHBLQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.10
Rot. Bonds3

About N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline

N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline (PubChem CID 4265201) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline
PubChem CID4265201
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESCc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H20N6/c1-13-4-6-14(7-5-13)17-12-18(25-19(20-17)21-22-23-25)15-8-10-16(11-9-15)24(2)3/h4-12,18H,1-3H3,(H,20,21,23)
InChIKeyIGPQRWQMGLHBLQ-UHFFFAOYSA-N
XLogP3.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methylphenyl)-7-phenyl-4,7-dihydro(1,2,4)triazolo(1,5-A)pyrimidine
CID 3803996
N-[4-(diethylamino)benzyl]-1-propyl-1H-tetrazol-5-amine
CID 834702
1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
CID 834537
1-propyl-N-[4-(pyrrolidin-1-yl)benzyl]-1H-tetrazol-5-amine
CID 834708
N-{4-[(4-methylbenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
CID 851516
1-butyl-N-[4-(diethylamino)benzyl]-1H-tetrazol-5-amine
CID 1817984
1-phenyl-N-(2-phenylethyl)tetrazol-5-amine
CID 2499895
5,7-Bis(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4384576
5-(3,4-Dimethylphenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4384578
N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
CID 4725596
(4-Dimethylamino-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
CID 4727225
5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3808649

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline (CID 4265201) is N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline is Cc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline?
The InChIKey is IGPQRWQMGLHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-13-4-6-14(7-5-13)17-12-18(25-19(20-17)21-22-23-25)15-8-10-16(11-9-15)24(2)3/h4-12,18H,1-3H3,(H,20,21,23).
What are the key properties of N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline?
N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline has a molecular weight of 332.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline is sourced from PubChem (CID 4265201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).