3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile

C12H18N6 — CID 80964347

IUPAC3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile
SMILESCCN(CCC#N)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H18N6/c1-2-18(7-3-6-13)11-8-10(17-14)15-12(16-11)9-4-5-9/h8-9H,2-5,7,14H2,1H3,(H,15,16,17)
InChIKeyRQMIZEIKDFDBKT-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.38
Rot. Bonds6

About 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile

3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile (PubChem CID 80964347) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile
PubChem CID80964347
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile
SMILESCCN(CCC#N)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H18N6/c1-2-18(7-3-6-13)11-8-10(17-14)15-12(16-11)9-4-5-9/h8-9H,2-5,7,14H2,1H3,(H,15,16,17)
InChIKeyRQMIZEIKDFDBKT-UHFFFAOYSA-N
XLogP1.38
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.38
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'}

Analyze 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80969713
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80965192
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80968340
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80963764
2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80957495
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80963769
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile?
The IUPAC name of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile (CID 80964347) is 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile.
What is the SMILES notation for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile?
The canonical SMILES for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile is CCN(CCC#N)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile?
The InChIKey is RQMIZEIKDFDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-18(7-3-6-13)11-8-10(17-14)15-12(16-11)9-4-5-9/h8-9H,2-5,7,14H2,1H3,(H,15,16,17).
What are the key properties of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile?
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile has a molecular weight of 246.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile is sourced from PubChem (CID 80964347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).