4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine

C10H14BrN3O — CID 130543437

IUPAC4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine
SMILESCOc1cncnc1N1CCC(Br)CC1
InChIInChI=1S/C10H14BrN3O/c1-15-9-6-12-7-13-10(9)14-4-2-8(11)3-5-14/h6-8H,2-5H2,1H3
InChIKeyNFTGXBPFXJYVQN-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.85
Rot. Bonds2

About 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine

4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine (PubChem CID 130543437) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine.

Molecular Properties

Compound Name4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine
PubChem CID130543437
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine
SMILESCOc1cncnc1N1CCC(Br)CC1
InChIInChI=1S/C10H14BrN3O/c1-15-9-6-12-7-13-10(9)14-4-2-8(11)3-5-14/h6-8H,2-5H2,1H3
InChIKeyNFTGXBPFXJYVQN-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine
CID 131207504
5-methoxy-4-(4-pyridin-3-ylpiperidin-1-yl)quinazoline
CID 136522483
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine
CID 70708834
5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
CID 20779081
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
CID 106838520
1-(5-methoxy-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 83838867
5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine
CID 114477528
4-[3-[[1-(5-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-oxo-4H-quinazolin-1-yl]pyridine-2-carbonitrile
CID 121374287
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine?
The IUPAC name of 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine (CID 130543437) is 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine.
What is the SMILES notation for 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine?
The canonical SMILES for 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine is COc1cncnc1N1CCC(Br)CC1.
What is the InChIKey of 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine?
The InChIKey is NFTGXBPFXJYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-15-9-6-12-7-13-10(9)14-4-2-8(11)3-5-14/h6-8H,2-5H2,1H3.
What are the key properties of 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine?
4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine has a molecular weight of 272.15 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine is sourced from PubChem (CID 130543437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).