4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline

C13H13N7 — CID 62760471

IUPAC4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCc2cncnc2)cc1-n1cnnn1
InChIInChI=1S/C13H13N7/c1-10-2-3-12(4-13(10)20-9-17-18-19-20)16-7-11-5-14-8-15-6-11/h2-6,8-9,16H,7H2,1H3
InChIKeyITLBTTQYQFXVQA-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.37
Rot. Bonds4

About 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline

4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline (PubChem CID 62760471) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
PubChem CID62760471
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCc2cncnc2)cc1-n1cnnn1
InChIInChI=1S/C13H13N7/c1-10-2-3-12(4-13(10)20-9-17-18-19-20)16-7-11-5-14-8-15-6-11/h2-6,8-9,16H,7H2,1H3
InChIKeyITLBTTQYQFXVQA-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

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Related Compounds

[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
CID 43738071
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 115938074
N-[(1-ethylimidazol-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 62351165
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline (CID 62760471) is 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline is Cc1ccc(NCc2cncnc2)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline?
The InChIKey is ITLBTTQYQFXVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-10-2-3-12(4-13(10)20-9-17-18-19-20)16-7-11-5-14-8-15-6-11/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline?
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(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 4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62760471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).