N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine

C16H28N4O — CID 72902906

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCOCCN1CCC(CNc2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C16H28N4O/c1-12-13(2)18-14(3)19-16(12)17-11-15-5-7-20(8-6-15)9-10-21-4/h15H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyBAQLTSQUEDFZHD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.17
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine (PubChem CID 72902906) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine
PubChem CID72902906
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCOCCN1CCC(CNc2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C16H28N4O/c1-12-13(2)18-14(3)19-16(12)17-11-15-5-7-20(8-6-15)9-10-21-4/h15H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyBAQLTSQUEDFZHD-UHFFFAOYSA-N
XLogP2.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine (CID 72902906) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine is COCCN1CCC(CNc2nc(C)nc(C)c2C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
The InChIKey is BAQLTSQUEDFZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-13(2)18-14(3)19-16(12)17-11-15-5-7-20(8-6-15)9-10-21-4/h15H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 72902906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).