1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine

C13H22N4O — CID 66332963

IUPAC1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
SMILESCOc1ncnc(N2CCC(C(C)N)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-12(15-8-16-13(9)18-3)17-6-4-11(5-7-17)10(2)14/h8,10-11H,4-7,14H2,1-3H3
InChIKeyGWQQNRUTLPRZBY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds3

About 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine

1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine (PubChem CID 66332963) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
PubChem CID66332963
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
SMILESCOc1ncnc(N2CCC(C(C)N)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-12(15-8-16-13(9)18-3)17-6-4-11(5-7-17)10(2)14/h8,10-11H,4-7,14H2,1-3H3
InChIKeyGWQQNRUTLPRZBY-UHFFFAOYSA-N
XLogP1.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 66331952
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine
CID 66325325
2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66331325
[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530
[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66327389
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
1-(6-methoxy-5-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 66332559
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66331134
[1-(6-methoxy-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 66331951
1-[1-(6-methoxy-5-nitropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106837258

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine (CID 66332963) is 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine is COc1ncnc(N2CCC(C(C)N)CC2)c1C.
What is the InChIKey of 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine?
The InChIKey is GWQQNRUTLPRZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(15-8-16-13(9)18-3)17-6-4-11(5-7-17)10(2)14/h8,10-11H,4-7,14H2,1-3H3.
What are the key properties of 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine?
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine has a molecular weight of 250.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 66332963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).