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

C13H20N2O3 — CID 116705705

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H20N2O3/c1-4-18-10(8-5-6-8)11-14-12(16)9(7(2)3)13(17)15-11/h7-8,10H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyITOCDTCIGSCXFH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.09
Rot. Bonds5

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

2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 116705705) 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-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID116705705
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H20N2O3/c1-4-18-10(8-5-6-8)11-14-12(16)9(7(2)3)13(17)15-11/h7-8,10H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyITOCDTCIGSCXFH-UHFFFAOYSA-N
XLogP2.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.09
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
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612119
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
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
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-propan-2-yl-1H-pyrimidin-6-one
CID 65351316

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 116705705) is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ITOCDTCIGSCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-10(8-5-6-8)11-14-12(16)9(7(2)3)13(17)15-11/h7-8,10H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 2.09, 5 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).