5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine

C12H19BrN4O — CID 114072876

IUPAC5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC(C)(OC)C2)c1Br
InChIInChI=1S/C12H19BrN4O/c1-12(18-3)5-4-6-17(7-12)11-9(13)10(14-2)15-8-16-11/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUDEPRRJKFFNWIO-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.29
Rot. Bonds3

About 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine

5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 114072876) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
PubChem CID114072876
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC(C)(OC)C2)c1Br
InChIInChI=1S/C12H19BrN4O/c1-12(18-3)5-4-6-17(7-12)11-9(13)10(14-2)15-8-16-11/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUDEPRRJKFFNWIO-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 107396356
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 107390598
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 114072849
5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 107393029
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515
[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 107396489
3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394384
5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114034557
1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 114071833

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine (CID 114072876) is 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine is CNc1ncnc(N2CCCC(C)(OC)C2)c1Br.
What is the InChIKey of 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is UDEPRRJKFFNWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-12(18-3)5-4-6-17(7-12)11-9(13)10(14-2)15-8-16-11/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 315.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114072876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).