N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine

C10H12N6O2 — CID 133467529

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
SMILESCN(Cc1nccn1C)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N6O2/c1-14-4-3-11-9(14)7-15(2)10-12-5-8(6-13-10)16(17)18/h3-6H,7H2,1-2H3
InChIKeyKOBMDYMKKGMDLT-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.75
Rot. Bonds4

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine (PubChem CID 133467529) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
PubChem CID133467529
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
SMILESCN(Cc1nccn1C)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N6O2/c1-14-4-3-11-9(14)7-15(2)10-12-5-8(6-13-10)16(17)18/h3-6H,7H2,1-2H3
InChIKeyKOBMDYMKKGMDLT-UHFFFAOYSA-N
XLogP0.75
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
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-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-nitroaniline
CID 133432024
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 133431909
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-nitrothiophen-2-yl]ethanone
CID 115964141
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733520
(1-methylimidazol-2-yl)-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-nitrophenyl]methanone
CID 133431983
2-[2-(1-methylimidazol-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 62099217
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-nitropyrimidin-2-amine
CID 133467417
[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
CID 114219897

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine (CID 133467529) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine is CN(Cc1nccn1C)c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine?
The InChIKey is KOBMDYMKKGMDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-14-4-3-11-9(14)7-15(2)10-12-5-8(6-13-10)16(17)18/h3-6H,7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine is sourced from PubChem (CID 133467529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).