4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine

C12H18FN3O — CID 171992582

IUPAC4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOCC1(F)CCN(c2ncnc(C)c2C)C1
InChIInChI=1S/C12H18FN3O/c1-9-10(2)14-8-15-11(9)16-5-4-12(13,6-16)7-17-3/h8H,4-7H2,1-3H3
InChIKeyHLRIDSMISZMYCA-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.66
Rot. Bonds3

About 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine

4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 171992582) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
PubChem CID171992582
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOCC1(F)CCN(c2ncnc(C)c2C)C1
InChIInChI=1S/C12H18FN3O/c1-9-10(2)14-8-15-11(9)16-5-4-12(13,6-16)7-17-3/h8H,4-7H2,1-3H3
InChIKeyHLRIDSMISZMYCA-UHFFFAOYSA-N
XLogP1.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine (CID 171992582) is 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine is COCC1(F)CCN(c2ncnc(C)c2C)C1.
What is the InChIKey of 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is HLRIDSMISZMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9-10(2)14-8-15-11(9)16-5-4-12(13,6-16)7-17-3/h8H,4-7H2,1-3H3.
What are the key properties of 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine?
4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 239.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 171992582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).