5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine

C7H13N5O2Si — CID 71336225

IUPAC5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
SMILESC[Si](C)(C)Nc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H13N5O2Si/c1-15(2,3)11-7-5(12(13)14)6(8)9-4-10-7/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyYNJHYWDIUUEVMK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds3

About 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine

5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine (PubChem CID 71336225) has the molecular formula C7H13N5O2Si and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
PubChem CID71336225
Molecular FormulaC7H13N5O2Si
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
SMILESC[Si](C)(C)Nc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H13N5O2Si/c1-15(2,3)11-7-5(12(13)14)6(8)9-4-10-7/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyYNJHYWDIUUEVMK-UHFFFAOYSA-N
XLogP1.21
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,2-dimethylpropyl)-5-nitropyrimidine-4,6-diamine
CID 80798432
5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23489047
4-N-cyclopropyl-5-nitropyrimidine-4,6-diamine
CID 80770430
4-N-(2-methylcyclopropyl)-5-nitropyrimidine-4,6-diamine
CID 80826806
1-[(6-amino-5-nitropyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840719
4-N-[1-(2-chlorophenyl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 80801401
4-N-(2-methylsulfonylethyl)-5-nitropyrimidine-4,6-diamine
CID 80791793
4-N-(1-cyclopropylethyl)-5-nitropyrimidine-4,6-diamine
CID 80780873
4-N-(2,2-difluoroethyl)-5-nitropyrimidine-4,6-diamine
CID 115409462
4-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-4,6-diamine
CID 2960753
4-N-(4,4-dimethylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 80837382
4-N-(dicyclopropylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80800116

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine (CID 71336225) is 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine is C[Si](C)(C)Nc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine?
The InChIKey is YNJHYWDIUUEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2Si/c1-15(2,3)11-7-5(12(13)14)6(8)9-4-10-7/h4H,1-3H3,(H3,8,9,10,11).
What are the key properties of 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine?
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine has a molecular weight of 227.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine is sourced from PubChem (CID 71336225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).