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

C14H15FN6O3 — CID 3948924

IUPAC2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2F)nc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15FN6O3/c15-9-3-1-2-4-10(9)17-14-18-12(16)11(21(22)23)13(19-14)20-5-7-24-8-6-20/h1-4H,5-8H2,(H3,16,17,18,19)
InChIKeyGFRASYOQLZAWHL-UHFFFAOYSA-N
MW334.31 g/mol
LogP1.69
Rot. Bonds4

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

2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine (PubChem CID 3948924) has the molecular formula C14H15FN6O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
PubChem CID3948924
Molecular FormulaC14H15FN6O3
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2F)nc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15FN6O3/c15-9-3-1-2-4-10(9)17-14-18-12(16)11(21(22)23)13(19-14)20-5-7-24-8-6-20/h1-4H,5-8H2,(H3,16,17,18,19)
InChIKeyGFRASYOQLZAWHL-UHFFFAOYSA-N
XLogP1.69
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.69
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 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine (CID 3948924) is 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2F)nc(N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The InChIKey is GFRASYOQLZAWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O3/c15-9-3-1-2-4-10(9)17-14-18-12(16)11(21(22)23)13(19-14)20-5-7-24-8-6-20/h1-4H,5-8H2,(H3,16,17,18,19).
What are the key properties of 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine has a molecular weight of 334.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 3948924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).