6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine

C12H13N7 — CID 19137065

IUPAC6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(-n2nnc3ccccc32)c1N
InChIInChI=1S/C12H13N7/c1-18(2)11-10(13)12(15-7-14-11)19-9-6-4-3-5-8(9)16-17-19/h3-7H,13H2,1-2H3
InChIKeyIJUWWAFBAATTMX-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.86
Rot. Bonds2

About 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine

6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine (PubChem CID 19137065) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
PubChem CID19137065
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(-n2nnc3ccccc32)c1N
InChIInChI=1S/C12H13N7/c1-18(2)11-10(13)12(15-7-14-11)19-9-6-4-3-5-8(9)16-17-19/h3-7H,13H2,1-2H3
InChIKeyIJUWWAFBAATTMX-UHFFFAOYSA-N
XLogP0.86
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545928
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004
6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19154249
6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144715
4-(benzotriazol-1-yl)-6-(4-bromophenoxy)pyrimidin-5-amine
CID 19154403
6-(benzotriazol-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148985
N'-[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150956
4-(benzotriazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139045
6-(benzotriazol-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19153404
ethyl 2-[[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19154268
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine (CID 19137065) is 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine is CN(C)c1ncnc(-n2nnc3ccccc32)c1N.
What is the InChIKey of 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The InChIKey is IJUWWAFBAATTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-18(2)11-10(13)12(15-7-14-11)19-9-6-4-3-5-8(9)16-17-19/h3-7H,13H2,1-2H3.
What are the key properties of 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine has a molecular weight of 255.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).