2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline

C13H13N7 — CID 62760274

IUPAC2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1cncnc1
InChIInChI=1S/C13H13N7/c1-10-2-3-12(20-9-17-18-19-20)4-13(10)16-7-11-5-14-8-15-6-11/h2-6,8-9,16H,7H2,1H3
InChIKeyMPTJEOSWRPIEIV-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.37
Rot. Bonds4

About 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline

2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline (PubChem CID 62760274) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
PubChem CID62760274
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1cncnc1
InChIInChI=1S/C13H13N7/c1-10-2-3-12(20-9-17-18-19-20)4-13(10)16-7-11-5-14-8-15-6-11/h2-6,8-9,16H,7H2,1H3
InChIKeyMPTJEOSWRPIEIV-UHFFFAOYSA-N
XLogP1.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline 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

N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700172
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline (CID 62760274) is 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCc1cncnc1.
What is the InChIKey of 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
The InChIKey is MPTJEOSWRPIEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-10-2-3-12(20-9-17-18-19-20)4-13(10)16-7-11-5-14-8-15-6-11/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline has a molecular weight of 267.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62760274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).