2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile

C13H14N6 — CID 107802085

IUPAC2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cc(Nc2cccc(C)c2C#N)nc(NN)n1
InChIInChI=1S/C13H14N6/c1-8-4-3-5-11(10(8)7-14)17-12-6-9(2)16-13(18-12)19-15/h3-6H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPQCZIYXZPNAQTA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.99
Rot. Bonds3

About 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile

2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile (PubChem CID 107802085) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
PubChem CID107802085
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cc(Nc2cccc(C)c2C#N)nc(NN)n1
InChIInChI=1S/C13H14N6/c1-8-4-3-5-11(10(8)7-14)17-12-6-9(2)16-13(18-12)19-15/h3-6H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPQCZIYXZPNAQTA-UHFFFAOYSA-N
XLogP1.99
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
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

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801851
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802105
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile (CID 107802085) is 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile is Cc1cc(Nc2cccc(C)c2C#N)nc(NN)n1.
What is the InChIKey of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The InChIKey is PQCZIYXZPNAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-4-3-5-11(10(8)7-14)17-12-6-9(2)16-13(18-12)19-15/h3-6H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107802085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).