[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid

C10H13BrN4O2 — CID 135281348

IUPAC[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-12-9(13-5-7)15-3-1-2-8(6-15)14-10(16)17/h4-5,8,14H,1-3,6H2,(H,16,17)
InChIKeyHKQIQMBOROVSCI-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.48
Rot. Bonds2

About [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid

[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid (PubChem CID 135281348) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
PubChem CID135281348
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-12-9(13-5-7)15-3-1-2-8(6-15)14-10(16)17/h4-5,8,14H,1-3,6H2,(H,16,17)
InChIKeyHKQIQMBOROVSCI-UHFFFAOYSA-N
XLogP1.48
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate
CID 91041255
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 165437493
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335318

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid?
The IUPAC name of [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid (CID 135281348) is [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid is O=C(O)NC1CCCN(c2ncc(Br)cn2)C1.
What is the InChIKey of [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid?
The InChIKey is HKQIQMBOROVSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-4-12-9(13-5-7)15-3-1-2-8(6-15)14-10(16)17/h4-5,8,14H,1-3,6H2,(H,16,17).
What are the key properties of [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid?
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid has a molecular weight of 301.14 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 135281348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).