1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

C11H16BrN5O — CID 114071833

IUPAC1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1ncnc(N2CCC(C(N)=O)CC2)c1Br
InChIInChI=1S/C11H16BrN5O/c1-14-10-8(12)11(16-6-15-10)17-4-2-7(3-5-17)9(13)18/h6-7H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyZKWPRKBJNCCCRA-UHFFFAOYSA-N
MW314.19 g/mol
LogP0.98
Rot. Bonds3

About 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 114071833) has the molecular formula C11H16BrN5O and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID114071833
Molecular FormulaC11H16BrN5O
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1ncnc(N2CCC(C(N)=O)CC2)c1Br
InChIInChI=1S/C11H16BrN5O/c1-14-10-8(12)11(16-6-15-10)17-4-2-7(3-5-17)9(13)18/h6-7H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyZKWPRKBJNCCCRA-UHFFFAOYSA-N
XLogP0.98
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
CID 80753870
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxamide
CID 112725358
2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80806727
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 23487046
4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114213997
1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
CID 66336044
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 114072849
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
1-(3,5-diamino-2-pyridinyl)piperidine-4-carboxamide
CID 21082843
1-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]piperidine-4-carboxamide
CID 80754104
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 114071833) is 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is CNc1ncnc(N2CCC(C(N)=O)CC2)c1Br.
What is the InChIKey of 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ZKWPRKBJNCCCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O/c1-14-10-8(12)11(16-6-15-10)17-4-2-7(3-5-17)9(13)18/h6-7H,2-5H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 314.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 114071833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).