2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid

C14H19FN2O4 — CID 175929301

IUPAC2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid
SMILESCOCOc1nc(C2CCC(CC(=O)O)CC2)ncc1F
InChIInChI=1S/C14H19FN2O4/c1-20-8-21-14-11(15)7-16-13(17-14)10-4-2-9(3-5-10)6-12(18)19/h7,9-10H,2-6,8H2,1H3,(H,18,19)
InChIKeyKUULGRKVNSINGT-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.35
Rot. Bonds6

About 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid

2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid (PubChem CID 175929301) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid
PubChem CID175929301
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid
SMILESCOCOc1nc(C2CCC(CC(=O)O)CC2)ncc1F
InChIInChI=1S/C14H19FN2O4/c1-20-8-21-14-11(15)7-16-13(17-14)10-4-2-9(3-5-10)6-12(18)19/h7,9-10H,2-6,8H2,1H3,(H,18,19)
InChIKeyKUULGRKVNSINGT-UHFFFAOYSA-N
XLogP2.35
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid (CID 175929301) is 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid is COCOc1nc(C2CCC(CC(=O)O)CC2)ncc1F.
What is the InChIKey of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid?
The InChIKey is KUULGRKVNSINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-20-8-21-14-11(15)7-16-13(17-14)10-4-2-9(3-5-10)6-12(18)19/h7,9-10H,2-6,8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid?
2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid has a molecular weight of 298.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 175929301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).