5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine

C16H20BrN3O — CID 133332634

IUPAC5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine
SMILESCCc1ccc(C2CC(C)CCN2c2ncc(Br)cn2)o1
InChIInChI=1S/C16H20BrN3O/c1-3-13-4-5-15(21-13)14-8-11(2)6-7-20(14)16-18-9-12(17)10-19-16/h4-5,9-11,14H,3,6-8H2,1-2H3
InChIKeyDLGJOOWAXBCQCX-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.37
Rot. Bonds3

About 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine

5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine (PubChem CID 133332634) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine
PubChem CID133332634
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine
SMILESCCc1ccc(C2CC(C)CCN2c2ncc(Br)cn2)o1
InChIInChI=1S/C16H20BrN3O/c1-3-13-4-5-15(21-13)14-8-11(2)6-7-20(14)16-18-9-12(17)10-19-16/h4-5,9-11,14H,3,6-8H2,1-2H3
InChIKeyDLGJOOWAXBCQCX-UHFFFAOYSA-N
XLogP4.37
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-3-nitropyridine
CID 96996561
4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine
CID 133332656
1-[2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 138038114
1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-amine
CID 115313485
1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 71926194
1-[2-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129470143
2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 97059361
5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 127430201
ethoxy-[2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-3-nitro-1H-pyridin-4-ylidene]methanolate
CID 170423261
(2S)-1-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129378101
4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
CID 133332577
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133332575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine (CID 133332634) is 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine is CCc1ccc(C2CC(C)CCN2c2ncc(Br)cn2)o1.
What is the InChIKey of 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine?
The InChIKey is DLGJOOWAXBCQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-13-4-5-15(21-13)14-8-11(2)6-7-20(14)16-18-9-12(17)10-19-16/h4-5,9-11,14H,3,6-8H2,1-2H3.
What are the key properties of 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine?
5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine has a molecular weight of 350.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 133332634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).