3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile

C12H20N6 — CID 80947733

IUPAC3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
SMILESCCCc1nc(NN)cc(N(C)C(C)CC#N)n1
InChIInChI=1S/C12H20N6/c1-4-5-10-15-11(17-14)8-12(16-10)18(3)9(2)6-7-13/h8-9H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyDEARXUREPRDVOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds6

About 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile

3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile (PubChem CID 80947733) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
PubChem CID80947733
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
SMILESCCCc1nc(NN)cc(N(C)C(C)CC#N)n1
InChIInChI=1S/C12H20N6/c1-4-5-10-15-11(17-14)8-12(16-10)18(3)9(2)6-7-13/h8-9H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyDEARXUREPRDVOC-UHFFFAOYSA-N
XLogP1.45
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
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-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile 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

3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80955556
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-2-propylpyrimidin-4-amine
CID 81064970
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81006300
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947636
3-[methyl-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829045
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-[cyanomethyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetonitrile
CID 80946486
[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829150
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80943087

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
The IUPAC name of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile (CID 80947733) is 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile is CCCc1nc(NN)cc(N(C)C(C)CC#N)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
The InChIKey is DEARXUREPRDVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-5-10-15-11(17-14)8-12(16-10)18(3)9(2)6-7-13/h8-9H,4-6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile has a molecular weight of 248.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile is sourced from PubChem (CID 80947733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).