2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine

C10H18N6O2 — CID 11528966

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine
SMILESCN(C)c1nc(N(C)C)c([N+](=O)[O-])c(N(C)C)n1
InChIInChI=1S/C10H18N6O2/c1-13(2)8-7(16(17)18)9(14(3)4)12-10(11-8)15(5)6/h1-6H3
InChIKeyXHLREVXCIXNKMI-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.58
Rot. Bonds4

About 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine (PubChem CID 11528966) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine
PubChem CID11528966
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine
SMILESCN(C)c1nc(N(C)C)c([N+](=O)[O-])c(N(C)C)n1
InChIInChI=1S/C10H18N6O2/c1-13(2)8-7(16(17)18)9(14(3)4)12-10(11-8)15(5)6/h1-6H3
InChIKeyXHLREVXCIXNKMI-UHFFFAOYSA-N
XLogP0.58
TPSA78.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine (CID 11528966) is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine is CN(C)c1nc(N(C)C)c([N+](=O)[O-])c(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine?
The InChIKey is XHLREVXCIXNKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-13(2)8-7(16(17)18)9(14(3)4)12-10(11-8)15(5)6/h1-6H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine has a molecular weight of 254.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-5-nitropyrimidine-2,4,6-triamine is sourced from PubChem (CID 11528966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).