4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one

C15H20N4O5 — CID 71366120

IUPAC4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one
SMILESCCOc1ccn(CC(O)Cn2ccc(OCC)nc2=O)c(=O)n1
InChIInChI=1S/C15H20N4O5/c1-3-23-12-5-7-18(14(21)16-12)9-11(20)10-19-8-6-13(24-4-2)17-15(19)22/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKeyDOBFCMULJCSCEB-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.34
Rot. Bonds8

About 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one

4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one (PubChem CID 71366120) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one
PubChem CID71366120
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one
SMILESCCOc1ccn(CC(O)Cn2ccc(OCC)nc2=O)c(=O)n1
InChIInChI=1S/C15H20N4O5/c1-3-23-12-5-7-18(14(21)16-12)9-11(20)10-19-8-6-13(24-4-2)17-15(19)22/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKeyDOBFCMULJCSCEB-UHFFFAOYSA-N
XLogP-0.34
TPSA108.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one?
The IUPAC name of 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one (CID 71366120) is 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one?
The canonical SMILES for 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one is CCOc1ccn(CC(O)Cn2ccc(OCC)nc2=O)c(=O)n1.
What is the InChIKey of 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one?
The InChIKey is DOBFCMULJCSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-3-23-12-5-7-18(14(21)16-12)9-11(20)10-19-8-6-13(24-4-2)17-15(19)22/h5-8,11,20H,3-4,9-10H2,1-2H3.
What are the key properties of 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one?
4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one has a molecular weight of 336.35 g/mol, XLogP of -0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[3-(4-ethoxy-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyrimidin-2-one is sourced from PubChem (CID 71366120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).