1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

C13H19BrN4O2 — CID 171690356

IUPAC1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOc1nc(N2CCC(C(=O)N(C)C)CC2)ncc1Br
InChIInChI=1S/C13H19BrN4O2/c1-17(2)12(19)9-4-6-18(7-5-9)13-15-8-10(14)11(16-13)20-3/h8-9H,4-7H2,1-3H3
InChIKeyXJTZVBRABRFMFB-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.55
Rot. Bonds3

About 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 171690356) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID171690356
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOc1nc(N2CCC(C(=O)N(C)C)CC2)ncc1Br
InChIInChI=1S/C13H19BrN4O2/c1-17(2)12(19)9-4-6-18(7-5-9)13-15-8-10(14)11(16-13)20-3/h8-9H,4-7H2,1-3H3
InChIKeyXJTZVBRABRFMFB-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974138
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
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
4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 103745953
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
ethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 103726594

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 171690356) is 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is COc1nc(N2CCC(C(=O)N(C)C)CC2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is XJTZVBRABRFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-17(2)12(19)9-4-6-18(7-5-9)13-15-8-10(14)11(16-13)20-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 171690356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).