4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine

C13H22N4O — CID 80784615

IUPAC4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCC(OC)CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-7-14-13-15-8-4-12(16-13)17-9-5-11(18-2)6-10-17/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,14,15,16)
InChIKeyOUTBSTFGSDOAJU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.91
Rot. Bonds5

About 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine

4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80784615) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80784615
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCC(OC)CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-7-14-13-15-8-4-12(16-13)17-9-5-11(18-2)6-10-17/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,14,15,16)
InChIKeyOUTBSTFGSDOAJU-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
CID 121204980
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine (CID 80784615) is 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(N2CCC(OC)CC2)n1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is OUTBSTFGSDOAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-7-14-13-15-8-4-12(16-13)17-9-5-11(18-2)6-10-17/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80784615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).