1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid

C13H18FN3O2 — CID 122106845

IUPAC1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCCc1ncnc(N2CC(C)CC(C(=O)O)C2)c1F
InChIInChI=1S/C13H18FN3O2/c1-3-10-11(14)12(16-7-15-10)17-5-8(2)4-9(6-17)13(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyHKLLBZMBDHHQKR-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.73
Rot. Bonds3

About 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid

1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106845) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106845
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCCc1ncnc(N2CC(C)CC(C(=O)O)C2)c1F
InChIInChI=1S/C13H18FN3O2/c1-3-10-11(14)12(16-7-15-10)17-5-8(2)4-9(6-17)13(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyHKLLBZMBDHHQKR-UHFFFAOYSA-N
XLogP1.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
(3aS,5S,7aR)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139014297
1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106461
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
(3aR,7aR)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340056
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106845) is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid is CCc1ncnc(N2CC(C)CC(C(=O)O)C2)c1F.
What is the InChIKey of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HKLLBZMBDHHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-10-11(14)12(16-7-15-10)17-5-8(2)4-9(6-17)13(18)19/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).