6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine

C16H19FN6O3 — CID 4692718

IUPAC6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine
SMILESCC1CN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C16H19FN6O3/c1-9-7-22(8-10(2)26-9)15-13(23(24)25)14(18)20-16(21-15)19-12-6-4-3-5-11(12)17/h3-6,9-10H,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyGOKVPBGLAKANAX-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.46
Rot. Bonds4

About 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine

6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine (PubChem CID 4692718) has the molecular formula C16H19FN6O3 and a molecular weight of 362.37 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine
PubChem CID4692718
Molecular FormulaC16H19FN6O3
Molecular Weight362.37 g/mol
Exact Mass362.15
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine
SMILESCC1CN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C16H19FN6O3/c1-9-7-22(8-10(2)26-9)15-13(23(24)25)14(18)20-16(21-15)19-12-6-4-3-5-11(12)17/h3-6,9-10H,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyGOKVPBGLAKANAX-UHFFFAOYSA-N
XLogP2.46
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine (CID 4692718) is 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine is CC1CN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine?
The InChIKey is GOKVPBGLAKANAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O3/c1-9-7-22(8-10(2)26-9)15-13(23(24)25)14(18)20-16(21-15)19-12-6-4-3-5-11(12)17/h3-6,9-10H,7-8H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine?
6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine has a molecular weight of 362.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 4692718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).