methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate

C15H18FN5O2 — CID 168823421

IUPACmethyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(-n3ccnc3C)c2F)CC1
InChIInChI=1S/C15H18FN5O2/c1-10-17-5-8-21(10)14-12(16)13(18-9-19-14)20-6-3-11(4-7-20)15(22)23-2/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyVOMQHFGZOBPAQP-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.50
Rot. Bonds3

About methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate

methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 168823421) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID168823421
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Namemethyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(-n3ccnc3C)c2F)CC1
InChIInChI=1S/C15H18FN5O2/c1-10-17-5-8-21(10)14-12(16)13(18-9-19-14)20-6-3-11(4-7-20)15(22)23-2/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyVOMQHFGZOBPAQP-UHFFFAOYSA-N
XLogP1.50
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 71778750
1-[5-Fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823461
Methyl 1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluoropyrimidin-2-yl]piperidine-4-carboxylate
CID 170783040
1-[5-Fluoro-4-(2-methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581439
5-fluoro-2-[4-(1H-imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 50958561
1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56888769
1-(5-fluoropyrimidin-2-yl)-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56910367
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methyl-1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912531
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912571
5-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrimidin-4-amine
CID 72897039
5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 97278798
5-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 97278799

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate (CID 168823421) is methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(-n3ccnc3C)c2F)CC1.
What is the InChIKey of methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is VOMQHFGZOBPAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-10-17-5-8-21(10)14-12(16)13(18-9-19-14)20-6-3-11(4-7-20)15(22)23-2/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate?
methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 168823421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).