6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C11H17ClN2O3 — CID 58203551

IUPAC6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCn1c(Cl)c(C(C)C)c(=O)n(COC)c1=O
InChIInChI=1S/C11H17ClN2O3/c1-5-13-9(12)8(7(2)3)10(15)14(6-17-4)11(13)16/h7H,5-6H2,1-4H3
InChIKeyRSOUMJPGYOTLIQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.41
Rot. Bonds4

About 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 58203551) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID58203551
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCn1c(Cl)c(C(C)C)c(=O)n(COC)c1=O
InChIInChI=1S/C11H17ClN2O3/c1-5-13-9(12)8(7(2)3)10(15)14(6-17-4)11(13)16/h7H,5-6H2,1-4H3
InChIKeyRSOUMJPGYOTLIQ-UHFFFAOYSA-N
XLogP1.41
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 58203551) is 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CCn1c(Cl)c(C(C)C)c(=O)n(COC)c1=O.
What is the InChIKey of 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is RSOUMJPGYOTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-5-13-9(12)8(7(2)3)10(15)14(6-17-4)11(13)16/h7H,5-6H2,1-4H3.
What are the key properties of 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 260.72 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 58203551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).