4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine

C13H22N4O2 — CID 102955766

IUPAC4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
SMILESCCCOc1ncnc(N2CCCC(OC)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-7-19-13-11(14)12(15-9-16-13)17-6-4-5-10(8-17)18-2/h9-10H,3-8,14H2,1-2H3
InChIKeyUSSVHTULEABYLM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.46
Rot. Bonds5

About 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine

4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine (PubChem CID 102955766) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
PubChem CID102955766
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
SMILESCCCOc1ncnc(N2CCCC(OC)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-7-19-13-11(14)12(15-9-16-13)17-6-4-5-10(8-17)18-2/h9-10H,3-8,14H2,1-2H3
InChIKeyUSSVHTULEABYLM-UHFFFAOYSA-N
XLogP1.46
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709
4-methoxy-6-(3-methoxypyrrolidin-1-yl)pyrimidin-5-amine
CID 103530461
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484
4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137416
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138505

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine (CID 102955766) is 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine is CCCOc1ncnc(N2CCCC(OC)C2)c1N.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine?
The InChIKey is USSVHTULEABYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-7-19-13-11(14)12(15-9-16-13)17-6-4-5-10(8-17)18-2/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine?
4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine has a molecular weight of 266.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine is sourced from PubChem (CID 102955766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).