[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine

C11H17BrN4 — CID 114961719

IUPAC[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2ncc(Br)cn2)CC1CN
InChIInChI=1S/C11H17BrN4/c1-8-2-3-16(7-9(8)4-13)11-14-5-10(12)6-15-11/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyDFPGKDXLWGTYFZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.66
Rot. Bonds2

About [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine

[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961719) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961719
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2ncc(Br)cn2)CC1CN
InChIInChI=1S/C11H17BrN4/c1-8-2-3-16(7-9(8)4-13)11-14-5-10(12)6-15-11/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyDFPGKDXLWGTYFZ-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961839
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
CID 114961588
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
5-(bromomethyl)-2-(3,4-dimethylpiperidin-1-yl)pyrimidine
CID 107085225
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
CID 116648605
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 114961799
5-bromo-2-(2,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 127430201
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63873972
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine (CID 114961719) is [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(c2ncc(Br)cn2)CC1CN.
What is the InChIKey of [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is DFPGKDXLWGTYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-8-2-3-16(7-9(8)4-13)11-14-5-10(12)6-15-11/h5-6,8-9H,2-4,7,13H2,1H3.
What are the key properties of [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 285.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).