1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine

C14H23ClN4O — CID 138038070

IUPAC1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine
SMILESCCOc1nc(N2CCC(C)(N(C)C)CC2)ncc1Cl
InChIInChI=1S/C14H23ClN4O/c1-5-20-12-11(15)10-16-13(17-12)19-8-6-14(2,7-9-19)18(3)4/h10H,5-9H2,1-4H3
InChIKeyYYYJXMZLIJWGMQ-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.45
Rot. Bonds4

About 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine

1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine (PubChem CID 138038070) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine
PubChem CID138038070
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine
SMILESCCOc1nc(N2CCC(C)(N(C)C)CC2)ncc1Cl
InChIInChI=1S/C14H23ClN4O/c1-5-20-12-11(15)10-16-13(17-12)19-8-6-14(2,7-9-19)18(3)4/h10H,5-9H2,1-4H3
InChIKeyYYYJXMZLIJWGMQ-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine (CID 138038070) is 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine is CCOc1nc(N2CCC(C)(N(C)C)CC2)ncc1Cl.
What is the InChIKey of 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine?
The InChIKey is YYYJXMZLIJWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-5-20-12-11(15)10-16-13(17-12)19-8-6-14(2,7-9-19)18(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine?
1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine has a molecular weight of 298.82 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine is sourced from PubChem (CID 138038070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).