5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine

C10H12N6O2 — CID 80857004

IUPAC5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1nn(-c2ncnc(N)c2[N+](=O)[O-])c(C)c1C
InChIInChI=1S/C10H12N6O2/c1-5-6(2)14-15(7(5)3)10-8(16(17)18)9(11)12-4-13-10/h4H,1-3H3,(H2,11,12,13)
InChIKeyVULWPILGHCEDPJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.08
Rot. Bonds2

About 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine

5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80857004) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80857004
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1nn(-c2ncnc(N)c2[N+](=O)[O-])c(C)c1C
InChIInChI=1S/C10H12N6O2/c1-5-6(2)14-15(7(5)3)10-8(16(17)18)9(11)12-4-13-10/h4H,1-3H3,(H2,11,12,13)
InChIKeyVULWPILGHCEDPJ-UHFFFAOYSA-N
XLogP1.08
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.08
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

1-(3-fluoro-2-nitrophenyl)-3,4,5-trimethylpyrazole
CID 62690850
6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine
CID 7067035
6-(3,3-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-amine
CID 80796375
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
4-(6-amino-5-nitropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887830
5-nitro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868403
1-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 80823756
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 2959623
1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 2960342
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 112672278
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
CID 71336225

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine (CID 80857004) is 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1nn(-c2ncnc(N)c2[N+](=O)[O-])c(C)c1C.
What is the InChIKey of 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is VULWPILGHCEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-5-6(2)14-15(7(5)3)10-8(16(17)18)9(11)12-4-13-10/h4H,1-3H3,(H2,11,12,13).
What are the key properties of 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 248.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80857004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).