6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine

C22H19N7 — CID 22545928

IUPAC6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
SMILESCCN(c1ncnc(-n2nnc3ccccc32)c1N)c1cccc2ccccc12
InChIInChI=1S/C22H19N7/c1-2-28(18-13-7-9-15-8-3-4-10-16(15)18)21-20(23)22(25-14-24-21)29-19-12-6-5-11-17(19)26-27-29/h3-14H,2,23H2,1H3
InChIKeyVLGACMQJUNQQCV-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.10
Rot. Bonds4

About 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine

6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine (PubChem CID 22545928) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
PubChem CID22545928
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
SMILESCCN(c1ncnc(-n2nnc3ccccc32)c1N)c1cccc2ccccc12
InChIInChI=1S/C22H19N7/c1-2-28(18-13-7-9-15-8-3-4-10-16(15)18)21-20(23)22(25-14-24-21)29-19-12-6-5-11-17(19)26-27-29/h3-14H,2,23H2,1H3
InChIKeyVLGACMQJUNQQCV-UHFFFAOYSA-N
XLogP4.10
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137065
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548
4-N-ethyl-6-N-(2-methylquinolin-5-yl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545924
4-N-ethyl-6-(4-methylphenyl)sulfanyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545836
4-N-ethyl-6-N-(3-methyl-2-pyridinyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545791
6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19154249
6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545833
6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545724
N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine
CID 3523025
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
ethyl 2-[[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19154268

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine (CID 22545928) is 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine is CCN(c1ncnc(-n2nnc3ccccc32)c1N)c1cccc2ccccc12.
What is the InChIKey of 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
The InChIKey is VLGACMQJUNQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-2-28(18-13-7-9-15-8-3-4-10-16(15)18)21-20(23)22(25-14-24-21)29-19-12-6-5-11-17(19)26-27-29/h3-14H,2,23H2,1H3.
What are the key properties of 6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine has a molecular weight of 381.44 g/mol, XLogP of 4.10, 4 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-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22545928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).