6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine

C16H14N8 — CID 19144715

IUPAC6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cccnc1Nc1ncnc(-n2nnc3ccccc32)c1N
InChIInChI=1S/C16H14N8/c1-10-5-4-8-18-14(10)21-15-13(17)16(20-9-19-15)24-12-7-3-2-6-11(12)22-23-24/h2-9H,17H2,1H3,(H,18,19,20,21)
InChIKeyAWQBFPLZUVKKKX-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.24
Rot. Bonds3

About 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine

6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19144715) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19144715
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cccnc1Nc1ncnc(-n2nnc3ccccc32)c1N
InChIInChI=1S/C16H14N8/c1-10-5-4-8-18-14(10)21-15-13(17)16(20-9-19-15)24-12-7-3-2-6-11(12)22-23-24/h2-9H,17H2,1H3,(H,18,19,20,21)
InChIKeyAWQBFPLZUVKKKX-UHFFFAOYSA-N
XLogP2.24
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(benzotriazol-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148985
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548
N'-[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150956
6-(benzotriazol-1-yl)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine
CID 22540169
6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19154249
ethyl 2-[[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19154268
6-(benzotriazol-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150164
6-(benzotriazol-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19153404
6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137065
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (CID 19144715) is 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is Cc1cccnc1Nc1ncnc(-n2nnc3ccccc32)c1N.
What is the InChIKey of 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is AWQBFPLZUVKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1-10-5-4-8-18-14(10)21-15-13(17)16(20-9-19-15)24-12-7-3-2-6-11(12)22-23-24/h2-9H,17H2,1H3,(H,18,19,20,21).
What are the key properties of 6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
6-(benzotriazol-1-yl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 318.34 g/mol, XLogP of 2.24, 3 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-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).