2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile

C15H18N6 — CID 80963733

IUPAC2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
SMILESCC(C)c1nc(NN)cc(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H18N6/c1-10(2)15-19-13(9-14(20-15)21-17)18-12-5-3-11(4-6-12)7-8-16/h3-6,9-10H,7,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyREGJTZCJMSUAJL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile

2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile (PubChem CID 80963733) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
PubChem CID80963733
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
SMILESCC(C)c1nc(NN)cc(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H18N6/c1-10(2)15-19-13(9-14(20-15)21-17)18-12-5-3-11(4-6-12)7-8-16/h3-6,9-10H,7,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyREGJTZCJMSUAJL-UHFFFAOYSA-N
XLogP2.70
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.70
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

1-N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 80962948
6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969003
5-fluoro-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 82682481
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80965676
2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
CID 80821858
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969189
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 115320701
N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 82858768
2-[4-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80908431
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile (CID 80963733) is 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile is CC(C)c1nc(NN)cc(Nc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile?
The InChIKey is REGJTZCJMSUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-10(2)15-19-13(9-14(20-15)21-17)18-12-5-3-11(4-6-12)7-8-16/h3-6,9-10H,7,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile?
2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 80963733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).