1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine

C14H24N4O — CID 112634894

IUPAC1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
SMILESCCOc1cc(C)nc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C14H24N4O/c1-4-19-13-9-10(2)16-14(17-13)18-7-5-12(6-8-18)11(3)15/h9,11-12H,4-8,15H2,1-3H3
InChIKeySPBXVTDCFOXEJA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine

1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine (PubChem CID 112634894) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
PubChem CID112634894
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
SMILESCCOc1cc(C)nc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C14H24N4O/c1-4-19-13-9-10(2)16-14(17-13)18-7-5-12(6-8-18)11(3)15/h9,11-12H,4-8,15H2,1-3H3
InChIKeySPBXVTDCFOXEJA-UHFFFAOYSA-N
XLogP1.75
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
CID 115973572
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95299010
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 106838422
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine (CID 112634894) is 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine is CCOc1cc(C)nc(N2CCC(C(C)N)CC2)n1.
What is the InChIKey of 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is SPBXVTDCFOXEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-19-13-9-10(2)16-14(17-13)18-7-5-12(6-8-18)11(3)15/h9,11-12H,4-8,15H2,1-3H3.
What are the key properties of 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine?
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 112634894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).