6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine

C18H17N7O — CID 19154249

IUPAC6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ccccc1Nc1ncnc(-n2nnc3ccccc32)c1N
InChIInChI=1S/C18H17N7O/c1-2-26-15-10-6-4-8-13(15)22-17-16(19)18(21-11-20-17)25-14-9-5-3-7-12(14)23-24-25/h3-11H,2,19H2,1H3,(H,20,21,22)
InChIKeyKSVRRQHYQPPYEF-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.93
Rot. Bonds5

About 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine

6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19154249) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19154249
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ccccc1Nc1ncnc(-n2nnc3ccccc32)c1N
InChIInChI=1S/C18H17N7O/c1-2-26-15-10-6-4-8-13(15)22-17-16(19)18(21-11-20-17)25-14-9-5-3-7-12(14)23-24-25/h3-11H,2,19H2,1H3,(H,20,21,22)
InChIKeyKSVRRQHYQPPYEF-UHFFFAOYSA-N
XLogP2.93
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19154268
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004
6-(benzotriazol-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19153404
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548
6-(benzotriazol-1-yl)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine
CID 22540169
6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144715
6-(benzotriazol-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148985
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137065
4-N-(2-ethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139028
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144132

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine (CID 19154249) is 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine is CCOc1ccccc1Nc1ncnc(-n2nnc3ccccc32)c1N.
What is the InChIKey of 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is KSVRRQHYQPPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-26-15-10-6-4-8-13(15)22-17-16(19)18(21-11-20-17)25-14-9-5-3-7-12(14)23-24-25/h3-11H,2,19H2,1H3,(H,20,21,22).
What are the key properties of 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine?
6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 347.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19154249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).