5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C13H20BrN3O — CID 103746059

IUPAC5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCOc1nc(N2CCC(C(C)C)CC2)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9(2)10-4-6-17(7-5-10)13-15-8-11(14)12(16-13)18-3/h8-10H,4-7H2,1-3H3
InChIKeyOXVSVBKZEFHBSW-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.12
Rot. Bonds3

About 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 103746059) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID103746059
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCOc1nc(N2CCC(C(C)C)CC2)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9(2)10-4-6-17(7-5-10)13-15-8-11(14)12(16-13)18-3/h8-10H,4-7H2,1-3H3
InChIKeyOXVSVBKZEFHBSW-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 106998160
5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 103745895
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 106998228
4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 103745953
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974138
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
3-[4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 106997344

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 103746059) is 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is COc1nc(N2CCC(C(C)C)CC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is OXVSVBKZEFHBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9(2)10-4-6-17(7-5-10)13-15-8-11(14)12(16-13)18-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 314.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 103746059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).