5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine

C15H16BrClN4O — CID 163352850

IUPAC5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
SMILESClc1cccnc1OCC1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C15H16BrClN4O/c16-12-7-19-15(20-8-12)21-6-2-3-11(9-21)10-22-14-13(17)4-1-5-18-14/h1,4-5,7-8,11H,2-3,6,9-10H2
InChIKeyFCKWXDDJXZWFCG-UHFFFAOYSA-N
MW383.68 g/mol
LogP3.58
Rot. Bonds4

About 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine

5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine (PubChem CID 163352850) has the molecular formula C15H16BrClN4O and a molecular weight of 383.68 g/mol. Its IUPAC name is 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
PubChem CID163352850
Molecular FormulaC15H16BrClN4O
Molecular Weight383.68 g/mol
Exact Mass382.02
IUPAC Name5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
SMILESClc1cccnc1OCC1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C15H16BrClN4O/c16-12-7-19-15(20-8-12)21-6-2-3-11(9-21)10-22-14-13(17)4-1-5-18-14/h1,4-5,7-8,11H,2-3,6,9-10H2
InChIKeyFCKWXDDJXZWFCG-UHFFFAOYSA-N
XLogP3.58
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 163352426
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 163352971
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163352657
3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163354526
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine (CID 163352850) is 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine is Clc1cccnc1OCC1CCCN(c2ncc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
The InChIKey is FCKWXDDJXZWFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O/c16-12-7-19-15(20-8-12)21-6-2-3-11(9-21)10-22-14-13(17)4-1-5-18-14/h1,4-5,7-8,11H,2-3,6,9-10H2.
What are the key properties of 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine has a molecular weight of 383.68 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 163352850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).