2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile

C12H11N5O — CID 1414694

IUPAC2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nc(NN)n2)cc1
InChIInChI=1S/C12H11N5O/c1-18-10-4-2-8(3-5-10)11-6-9(7-13)15-12(16-11)17-14/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyWENPCONYQSAASW-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.31
Rot. Bonds3

About 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile

2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile (PubChem CID 1414694) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
PubChem CID1414694
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nc(NN)n2)cc1
InChIInChI=1S/C12H11N5O/c1-18-10-4-2-8(3-5-10)11-6-9(7-13)15-12(16-11)17-14/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyWENPCONYQSAASW-UHFFFAOYSA-N
XLogP1.31
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
CID 2835211
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-(3,4-Dimethoxyphenyl)-2-hydrazino-6-phenylpyrimidine
CID 869765
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
4,6-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 21812434

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile (CID 1414694) is 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile is COc1ccc(-c2cc(C#N)nc(NN)n2)cc1.
What is the InChIKey of 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile?
The InChIKey is WENPCONYQSAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-10-4-2-8(3-5-10)11-6-9(7-13)15-12(16-11)17-14/h2-6H,14H2,1H3,(H,15,16,17).
What are the key properties of 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile?
2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 1414694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).