3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile

C13H22N6 — CID 80905468

IUPAC3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)c1c(NN)ncnc1N(CCC#N)C(C)C
InChIInChI=1S/C13H22N6/c1-9(2)11-12(18-15)16-8-17-13(11)19(10(3)4)7-5-6-14/h8-10H,5,7,15H2,1-4H3,(H,16,17,18)
InChIKeyRLDQYWYVQSZGAS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.01
Rot. Bonds6

About 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile

3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile (PubChem CID 80905468) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile
PubChem CID80905468
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)c1c(NN)ncnc1N(CCC#N)C(C)C
InChIInChI=1S/C13H22N6/c1-9(2)11-12(18-15)16-8-17-13(11)19(10(3)4)7-5-6-14/h8-10H,5,7,15H2,1-4H3,(H,16,17,18)
InChIKeyRLDQYWYVQSZGAS-UHFFFAOYSA-N
XLogP2.01
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.01
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

6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
3-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80810825
3-[[5-nitro-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80787488
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 80900553
N'-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901295
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
CID 80905178
6-hydrazinyl-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80899159
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
6-hydrazinyl-N-methyl-N-(2-phenylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80924181

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile (CID 80905468) is 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile is CC(C)c1c(NN)ncnc1N(CCC#N)C(C)C.
What is the InChIKey of 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile?
The InChIKey is RLDQYWYVQSZGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9(2)11-12(18-15)16-8-17-13(11)19(10(3)4)7-5-6-14/h8-10H,5,7,15H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile?
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile has a molecular weight of 262.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 80905468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).