4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine

C12H18BrN3 — CID 114682855

IUPAC4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine
SMILESCCc1cc(N2CCC(Br)C(C)C2)ncn1
InChIInChI=1S/C12H18BrN3/c1-3-10-6-12(15-8-14-10)16-5-4-11(13)9(2)7-16/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyVAYXMAAPVVLCPB-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.65
Rot. Bonds2

About 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine

4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine (PubChem CID 114682855) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine
PubChem CID114682855
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine
SMILESCCc1cc(N2CCC(Br)C(C)C2)ncn1
InChIInChI=1S/C12H18BrN3/c1-3-10-6-12(15-8-14-10)16-5-4-11(13)9(2)7-16/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyVAYXMAAPVVLCPB-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
4-[1-(6-ethylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 172905311
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591241
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603398
(3S,4S)-1-(6-ethylpyrimidin-4-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56706134
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
4-[(1R)-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 97199716

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine?
The IUPAC name of 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine (CID 114682855) is 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine.
What is the SMILES notation for 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine?
The canonical SMILES for 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine is CCc1cc(N2CCC(Br)C(C)C2)ncn1.
What is the InChIKey of 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine?
The InChIKey is VAYXMAAPVVLCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-3-10-6-12(15-8-14-10)16-5-4-11(13)9(2)7-16/h6,8-9,11H,3-5,7H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine?
4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine has a molecular weight of 284.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine is sourced from PubChem (CID 114682855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).