3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile

C14H24N6 — CID 80900553

IUPAC3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
SMILESCCCc1c(NN)ncnc1N(CCC#N)CC(C)C
InChIInChI=1S/C14H24N6/c1-4-6-12-13(19-16)17-10-18-14(12)20(8-5-7-15)9-11(2)3/h10-11H,4-6,8-9,16H2,1-3H3,(H,17,18,19)
InChIKeyQVCCRSYDMBPEIK-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.09
Rot. Bonds8

About 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile

3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile (PubChem CID 80900553) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
PubChem CID80900553
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
SMILESCCCc1c(NN)ncnc1N(CCC#N)CC(C)C
InChIInChI=1S/C14H24N6/c1-4-6-12-13(19-16)17-10-18-14(12)20(8-5-7-15)9-11(2)3/h10-11H,4-6,8-9,16H2,1-3H3,(H,17,18,19)
InChIKeyQVCCRSYDMBPEIK-UHFFFAOYSA-N
XLogP2.09
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.09
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-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]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

3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901167
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
CID 102761879
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80814927
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
1-[ethyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923421
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80905468

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile (CID 80900553) is 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile is CCCc1c(NN)ncnc1N(CCC#N)CC(C)C.
What is the InChIKey of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
The InChIKey is QVCCRSYDMBPEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-4-6-12-13(19-16)17-10-18-14(12)20(8-5-7-15)9-11(2)3/h10-11H,4-6,8-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile has a molecular weight of 276.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 80900553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).