4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine

C8H13N5O2 — CID 2822931

IUPAC4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine
SMILESCN(C)c1ncnc(N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N5O2/c1-11(2)7-6(13(14)15)8(12(3)4)10-5-9-7/h5H,1-4H3
InChIKeyOLLBCIHYMNJKAF-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.52
Rot. Bonds3

About 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine

4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine (PubChem CID 2822931) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine
PubChem CID2822931
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine
SMILESCN(C)c1ncnc(N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N5O2/c1-11(2)7-6(13(14)15)8(12(3)4)10-5-9-7/h5H,1-4H3
InChIKeyOLLBCIHYMNJKAF-UHFFFAOYSA-N
XLogP0.52
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine (CID 2822931) is 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine is CN(C)c1ncnc(N(C)C)c1[N+](=O)[O-].
What is the InChIKey of 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine?
The InChIKey is OLLBCIHYMNJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-11(2)7-6(13(14)15)8(12(3)4)10-5-9-7/h5H,1-4H3.
What are the key properties of 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine?
4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine has a molecular weight of 211.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 2822931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).