4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

C10H10N6O2 — CID 6436171

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IUPAC4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
SMILESCn1c([N+](=O)[O-])cnc1/C=C/c1ccnc(N)n1
InChIInChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+
InChIKeyLHIALLMPKJMSIQ-NSCUHMNNSA-N
MW246.23 g/mol
LogP0.87
Rot. Bonds3

About 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine (PubChem CID 6436171) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
PubChem CID6436171
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
SMILESCn1c([N+](=O)[O-])cnc1/C=C/c1ccnc(N)n1
InChIInChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+
InChIKeyLHIALLMPKJMSIQ-NSCUHMNNSA-N
XLogP0.87
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.87
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

N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitro-N-phenyl-pyrimidin-2-amine
CID 488918
4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(2-pyridylmethyl)pyrimidin-2-amine
CID 16728894
N-ethyl-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine
CID 16728896
4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-sec-butyl-pyrimidin-2-amine
CID 16728897
N-butyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
CID 12134841
4-Methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine
CID 16728895
6-methyl-4-N-[3-(2-nitroimidazol-1-yl)propyl]pyrimidine-2,4-diamine;hydrochloride
CID 56851069
4-[(1-Methyl-5-nitro-1h-imidazol-2-yl)ethynyl]pyrimidin-2-amine
CID 191273
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-2-amine
CID 2804811
N-[2-(1-methylimidazol-4-yl)ethyl]-5-nitropyridin-2-amine
CID 10354594
6-methyl-4-N-[4-(2-nitroimidazol-1-yl)butyl]pyrimidine-2,4-diamine;hydrochloride
CID 56851071
Cambridge id 5488678
CID 2849063

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine (CID 6436171) is 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine is Cn1c([N+](=O)[O-])cnc1/C=C/c1ccnc(N)n1.
What is the InChIKey of 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is LHIALLMPKJMSIQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+.
What are the key properties of 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine?
4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 6436171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).