4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine

C11H18N6O2 — CID 4293401

IUPAC4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
SMILESCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1
InChIInChI=1S/C11H18N6O2/c1-13-11-15-9(12)8(17(18)19)10(16-11)14-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyPXLUTEXFMZKVDR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds4

About 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine

4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine (PubChem CID 4293401) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
PubChem CID4293401
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
SMILESCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1
InChIInChI=1S/C11H18N6O2/c1-13-11-15-9(12)8(17(18)19)10(16-11)14-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyPXLUTEXFMZKVDR-UHFFFAOYSA-N
XLogP1.75
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
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 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine (CID 4293401) is 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine is CNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine?
The InChIKey is PXLUTEXFMZKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-13-11-15-9(12)8(17(18)19)10(16-11)14-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine?
4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine has a molecular weight of 266.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-methyl-5-nitropyrimidine-2,4,6-triamine is sourced from PubChem (CID 4293401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).