3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile

C14H20N6 — CID 80994835

IUPAC3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
SMILESCc1c(NN)nc(C2CC2)nc1N(CCC#N)C1CC1
InChIInChI=1S/C14H20N6/c1-9-12(19-16)17-13(10-3-4-10)18-14(9)20(8-2-7-15)11-5-6-11/h10-11H,2-6,8,16H2,1H3,(H,17,18,19)
InChIKeyIXWQDKAMYULFCW-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.83
Rot. Bonds6

About 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile

3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile (PubChem CID 80994835) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
PubChem CID80994835
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
SMILESCc1c(NN)nc(C2CC2)nc1N(CCC#N)C1CC1
InChIInChI=1S/C14H20N6/c1-9-12(19-16)17-13(10-3-4-10)18-14(9)20(8-2-7-15)11-5-6-11/h10-11H,2-6,8,16H2,1H3,(H,17,18,19)
InChIKeyIXWQDKAMYULFCW-UHFFFAOYSA-N
XLogP1.83
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.83
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'}

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Related Compounds

2-[cyclopentyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80994741
2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80983019
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-propan-2-ylpyrimidin-4-amine
CID 81000896
2-[cyanomethyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80976424
1-[[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954212
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80983361
N-cyclopropyl-N,2-diethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81001386
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 81005920
N-cyclopropyl-N-ethyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80944707
N-cyclopropyl-6-hydrazinyl-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80995786
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile (CID 80994835) is 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile is Cc1c(NN)nc(C2CC2)nc1N(CCC#N)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile?
The InChIKey is IXWQDKAMYULFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9-12(19-16)17-13(10-3-4-10)18-14(9)20(8-2-7-15)11-5-6-11/h10-11H,2-6,8,16H2,1H3,(H,17,18,19).
What are the key properties of 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile?
3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile has a molecular weight of 272.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 80994835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).