2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid

C12H16FN3O4 — CID 86699264

IUPAC2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid
SMILESCn1c(CC(=O)O)nc(N2CCOC(CF)C2)cc1=O
InChIInChI=1S/C12H16FN3O4/c1-15-9(5-12(18)19)14-10(4-11(15)17)16-2-3-20-8(6-13)7-16/h4,8H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyUGMBUQHYFHHECQ-UHFFFAOYSA-N
MW285.28 g/mol
LogP-0.42
Rot. Bonds4

About 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid

2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid (PubChem CID 86699264) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid
PubChem CID86699264
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid
SMILESCn1c(CC(=O)O)nc(N2CCOC(CF)C2)cc1=O
InChIInChI=1S/C12H16FN3O4/c1-15-9(5-12(18)19)14-10(4-11(15)17)16-2-3-20-8(6-13)7-16/h4,8H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyUGMBUQHYFHHECQ-UHFFFAOYSA-N
XLogP-0.42
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid (CID 86699264) is 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid is Cn1c(CC(=O)O)nc(N2CCOC(CF)C2)cc1=O.
What is the InChIKey of 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
The InChIKey is UGMBUQHYFHHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-15-9(5-12(18)19)14-10(4-11(15)17)16-2-3-20-8(6-13)7-16/h4,8H,2-3,5-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid?
2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid has a molecular weight of 285.28 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetic acid is sourced from PubChem (CID 86699264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).