5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine

C11H17BrN4O — CID 114221655

IUPAC5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOC1CCN(c2nc(N)ncc2Br)C(C)C1
InChIInChI=1S/C11H17BrN4O/c1-7-5-8(17-2)3-4-16(7)10-9(12)6-14-11(13)15-10/h6-8H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyMWRIEYAYZBQIKP-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.83
Rot. Bonds2

About 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine

5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 114221655) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID114221655
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOC1CCN(c2nc(N)ncc2Br)C(C)C1
InChIInChI=1S/C11H17BrN4O/c1-7-5-8(17-2)3-4-16(7)10-9(12)6-14-11(13)15-10/h6-8H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyMWRIEYAYZBQIKP-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-Bromo-4-(1-piperidinyl)-2-pyrimidinyl]morpholine
CID 888822
1-(5-Bromopyrimidin-2-yl)piperidin-4-ol
CID 4641125
4-(5-Bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 890559
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
Propan-2-yl 4-[(5-bromopyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 56789116
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
3-[(5-Bromopyrimidin-2-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 11197279
5-Bromo-2-[(1-methylpiperidin-4-YL)oxy]pyrimidine
CID 55250974
5-Fluoro-2-{[1-(propan-2-yl)piperidin-4-yl]oxy}pyrimidine
CID 59361750
4-(4-Amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
CID 59744038
4-[(2R,6S)-4-but-2-ynoxy-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine
CID 67113269
5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
CID 167426523

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine (CID 114221655) is 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine is COC1CCN(c2nc(N)ncc2Br)C(C)C1.
What is the InChIKey of 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is MWRIEYAYZBQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7-5-8(17-2)3-4-16(7)10-9(12)6-14-11(13)15-10/h6-8H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine?
5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methoxy-2-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 114221655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).