3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile

C11H18N6 — CID 80655877

IUPAC3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCc1cc(NN)nc(CN(C)CC(C)C#N)n1
InChIInChI=1S/C11H18N6/c1-8(5-12)6-17(3)7-11-14-9(2)4-10(15-11)16-13/h4,8H,6-7,13H2,1-3H3,(H,14,15,16)
InChIKeyURVJRWMHFLAXHD-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.66
Rot. Bonds5

About 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile (PubChem CID 80655877) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
PubChem CID80655877
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCc1cc(NN)nc(CN(C)CC(C)C#N)n1
InChIInChI=1S/C11H18N6/c1-8(5-12)6-17(3)7-11-14-9(2)4-10(15-11)16-13/h4,8H,6-7,13H2,1-3H3,(H,14,15,16)
InChIKeyURVJRWMHFLAXHD-UHFFFAOYSA-N
XLogP0.66
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.66
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

3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]-2-methylpropanenitrile
CID 80658310
2-[cyanomethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]acetonitrile
CID 80655668
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]propanenitrile
CID 80655565
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107871100
1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417038
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
CID 80655140
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80964711
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylcyclohexanamine
CID 80655142
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 80656005
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile (CID 80655877) is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile is Cc1cc(NN)nc(CN(C)CC(C)C#N)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
The InChIKey is URVJRWMHFLAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-8(5-12)6-17(3)7-11-14-9(2)4-10(15-11)16-13/h4,8H,6-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile?
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile has a molecular weight of 234.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80655877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).