6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine

C11H14N6O2 — CID 80852878

IUPAC6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2ccnc2C)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2/c1-3-4-13-10-9(17(18)19)11(15-7-14-10)16-6-5-12-8(16)2/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyGYPXDJAXMBFBRL-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.70
Rot. Bonds5

About 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine

6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 80852878) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine
PubChem CID80852878
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2ccnc2C)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2/c1-3-4-13-10-9(17(18)19)11(15-7-14-10)16-6-5-12-8(16)2/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyGYPXDJAXMBFBRL-UHFFFAOYSA-N
XLogP1.70
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.70
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

4-N-[(1-methylimidazol-2-yl)methyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80814642
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405
5-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324058
N-hexadecyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489157
4-N-(2-methylsulfanylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839763
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
CID 23487425
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
5-nitro-6-propoxy-N-propylpyrimidin-4-amine
CID 80866918
6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80763913

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine (CID 80852878) is 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine is CCCNc1ncnc(-n2ccnc2C)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is GYPXDJAXMBFBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-3-4-13-10-9(17(18)19)11(15-7-14-10)16-6-5-12-8(16)2/h5-7H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine?
6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 262.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80852878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).