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

C13H20N2O3 — CID 116705697

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(OCC)C2CC2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-3-5-9-12(16)14-11(15-13(9)17)10(18-4-2)8-6-7-8/h8,10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyDFZWZDPONBWLJU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds6

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

2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 116705697) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID116705697
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(OCC)C2CC2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-3-5-9-12(16)14-11(15-13(9)17)10(18-4-2)8-6-7-8/h8,10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyDFZWZDPONBWLJU-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
4-hydroxy-2-(methoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613286
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613288
4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 63613818
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
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
4-hydroxy-2-(oxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 65331632
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65351264
4-hydroxy-2-(2-methylcyclopropyl)-5-propyl-1H-pyrimidin-6-one
CID 65422106

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 116705697) is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(OCC)C2CC2)[nH]c1=O.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is DFZWZDPONBWLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-5-9-12(16)14-11(15-13(9)17)10(18-4-2)8-6-7-8/h8,10H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).