2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine

C12H19ClN4O — CID 80753257

IUPAC2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
SMILESCOc1ncc(Cl)c(N2CCC(CCN)CC2)n1
InChIInChI=1S/C12H19ClN4O/c1-18-12-15-8-10(13)11(16-12)17-6-3-9(2-5-14)4-7-17/h8-9H,2-7,14H2,1H3
InChIKeyIXZUAGFGZSDVHN-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.70
Rot. Bonds4

About 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine

2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine (PubChem CID 80753257) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
PubChem CID80753257
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
SMILESCOc1ncc(Cl)c(N2CCC(CCN)CC2)n1
InChIInChI=1S/C12H19ClN4O/c1-18-12-15-8-10(13)11(16-12)17-6-3-9(2-5-14)4-7-17/h8-9H,2-7,14H2,1H3
InChIKeyIXZUAGFGZSDVHN-UHFFFAOYSA-N
XLogP1.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine (CID 80753257) is 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine is COc1ncc(Cl)c(N2CCC(CCN)CC2)n1.
What is the InChIKey of 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine?
The InChIKey is IXZUAGFGZSDVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-18-12-15-8-10(13)11(16-12)17-6-3-9(2-5-14)4-7-17/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine?
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine has a molecular weight of 270.76 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 80753257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).