5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine

C10H15FN4O — CID 3147873

IUPAC5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(C)c1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C10H15FN4O/c1-14(2)9-8(11)7-12-10(13-9)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
InChIKeyKHRBWWSOBOBVGT-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.52
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 3147873) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID3147873
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(C)c1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C10H15FN4O/c1-14(2)9-8(11)7-12-10(13-9)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
InChIKeyKHRBWWSOBOBVGT-UHFFFAOYSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine (CID 3147873) is 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine is CN(C)c1nc(N2CCOCC2)ncc1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KHRBWWSOBOBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-14(2)9-8(11)7-12-10(13-9)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 226.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3147873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).