4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine

C9H12FN3O — CID 89002808

IUPAC4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C9H12FN3O/c1-7-8(10)6-11-9(12-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKeyGXTLOHGZXADZQK-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.76
Rot. Bonds1

About 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine

4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine (PubChem CID 89002808) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine
PubChem CID89002808
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C9H12FN3O/c1-7-8(10)6-11-9(12-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKeyGXTLOHGZXADZQK-UHFFFAOYSA-N
XLogP0.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
4-Methyl-3-(4-methylpyrimidin-2-yl)morpholine
CID 110269460
2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603
2,6-Dimethyl-4-(6-methylpyrimidin-4-YL)morpholine hydrochloride
CID 16876387
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979
4-[4-(Trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2809218
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873
2,6-Dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 119103561
4-(5-Fluoropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 121020737
4-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine
CID 59618121
2-(4,4-Difluoropiperidin-1-yl)-5-fluoro-4-methylpyrimidine
CID 68312323
Morpholine-4-carboxylic Acid 4-trifluoromethyl-pyrimidin-2-yl Ester
CID 69519825

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine (CID 89002808) is 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine is Cc1nc(N2CCOCC2)ncc1F.
What is the InChIKey of 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine?
The InChIKey is GXTLOHGZXADZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-7-8(10)6-11-9(12-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3.
What are the key properties of 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine?
4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine has a molecular weight of 197.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 89002808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).