4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile

C8H10N6O2 — CID 44565865

IUPAC4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile
SMILESCNc1nc(C#N)nc(N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N6O2/c1-10-7-6(14(15)16)8(13(2)3)12-5(4-9)11-7/h1-3H3,(H,10,11,12)
InChIKeyOVOZODJPCBCOEY-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.36
Rot. Bonds3

About 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile

4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile (PubChem CID 44565865) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile
PubChem CID44565865
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile
SMILESCNc1nc(C#N)nc(N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N6O2/c1-10-7-6(14(15)16)8(13(2)3)12-5(4-9)11-7/h1-3H3,(H,10,11,12)
InChIKeyOVOZODJPCBCOEY-UHFFFAOYSA-N
XLogP0.36
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine
CID 11528966
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
3-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80810825
4-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzonitrile
CID 80760375
4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112726456
4-N,6-N-dimethyl-4-N-(4-methylpentan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 78958767
5-bromo-2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzonitrile
CID 82698298
4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]benzonitrile
CID 80904305
2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 91622973
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]benzonitrile
CID 80930017
4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 112726545
4-N-methyl-5-nitro-2-N-(4-nitrophenyl)pyrimidine-2,4,6-triamine
CID 4677450

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile (CID 44565865) is 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile is CNc1nc(C#N)nc(N(C)C)c1[N+](=O)[O-].
What is the InChIKey of 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile?
The InChIKey is OVOZODJPCBCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-10-7-6(14(15)16)8(13(2)3)12-5(4-9)11-7/h1-3H3,(H,10,11,12).
What are the key properties of 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile?
4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile has a molecular weight of 222.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile is sourced from PubChem (CID 44565865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).