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

C12H20N4O2 — CID 102971606

IUPAC5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC(OC)C2)c1OC
InChIInChI=1S/C12H20N4O2/c1-13-11-10(18-3)12(15-8-14-11)16-6-4-5-9(7-16)17-2/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXXIZCEIRKLIIHU-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.14
Rot. Bonds4

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

5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 102971606) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
PubChem CID102971606
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC(OC)C2)c1OC
InChIInChI=1S/C12H20N4O2/c1-13-11-10(18-3)12(15-8-14-11)16-6-4-5-9(7-16)17-2/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXXIZCEIRKLIIHU-UHFFFAOYSA-N
XLogP1.14
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590175
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484
6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine
CID 114088565
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 102971566
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine (CID 102971606) is 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine is CNc1ncnc(N2CCCC(OC)C2)c1OC.
What is the InChIKey of 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is XXIZCEIRKLIIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-13-11-10(18-3)12(15-8-14-11)16-6-4-5-9(7-16)17-2/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine?
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 102971606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).