6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one

C11H18ClN3O2 — CID 114585185

IUPAC6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C11H18ClN3O2/c1-4-14(5-2)6-7-15-8-13-10(12)9(17-3)11(15)16/h8H,4-7H2,1-3H3
InChIKeyNRPVDNJZKHAASZ-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.25
Rot. Bonds6

About 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one

6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one (PubChem CID 114585185) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one
PubChem CID114585185
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C11H18ClN3O2/c1-4-14(5-2)6-7-15-8-13-10(12)9(17-3)11(15)16/h8H,4-7H2,1-3H3
InChIKeyNRPVDNJZKHAASZ-UHFFFAOYSA-N
XLogP1.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one (CID 114585185) is 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one is CCN(CC)CCn1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one?
The InChIKey is NRPVDNJZKHAASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-14(5-2)6-7-15-8-13-10(12)9(17-3)11(15)16/h8H,4-7H2,1-3H3.
What are the key properties of 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one?
6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one has a molecular weight of 259.74 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(diethylamino)ethyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).