2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C11H16N2O3 — CID 116705693

IUPAC2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(OC)C2CC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-7-10(14)12-9(13-11(7)15)8(16-2)6-4-5-6/h6,8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWEBNHQRWDMDUOM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.14
Rot. Bonds4

About 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705693) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705693
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(OC)C2CC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-7-10(14)12-9(13-11(7)15)8(16-2)6-4-5-6/h6,8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWEBNHQRWDMDUOM-UHFFFAOYSA-N
XLogP1.14
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
4-hydroxy-2-(methoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613286
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613288
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
4-hydroxy-2-(3-methoxypropyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 65095017
5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331630
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 116705693) is 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C(OC)C2CC2)[nH]c1=O.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WEBNHQRWDMDUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-7-10(14)12-9(13-11(7)15)8(16-2)6-4-5-6/h6,8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).