N-fluoro-2-morpholin-4-ylpyrimidin-4-amine

C8H11FN4O — CID 123779217

IUPACN-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESFNc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C8H11FN4O/c9-12-7-1-2-10-8(11-7)13-3-5-14-6-4-13/h1-2H,3-6H2,(H,10,11,12)
InChIKeyXNTDNNSARLBUSJ-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.61
Rot. Bonds2

About N-fluoro-2-morpholin-4-ylpyrimidin-4-amine

N-fluoro-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 123779217) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is N-fluoro-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-fluoro-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID123779217
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC NameN-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESFNc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C8H11FN4O/c9-12-7-1-2-10-8(11-7)13-3-5-14-6-4-13/h1-2H,3-6H2,(H,10,11,12)
InChIKeyXNTDNNSARLBUSJ-UHFFFAOYSA-N
XLogP0.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-fluoro-2-morpholin-4-ylpyrimidin-4-amine (CID 123779217) is N-fluoro-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-fluoro-2-morpholin-4-ylpyrimidin-4-amine is FNc1ccnc(N2CCOCC2)n1.
What is the InChIKey of N-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is XNTDNNSARLBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-12-7-1-2-10-8(11-7)13-3-5-14-6-4-13/h1-2H,3-6H2,(H,10,11,12).
What are the key properties of N-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
N-fluoro-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 198.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 123779217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).