5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one

C10H15BrN2O3 — CID 116705749

IUPAC5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(Br)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15BrN2O3/c1-4-16-7(5(2)3)8-12-9(14)6(11)10(15)13-8/h5,7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyDNKDXKCTNWRPPJ-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.97
Rot. Bonds4

About 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705749) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705749
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Name5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(Br)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15BrN2O3/c1-4-16-7(5(2)3)8-12-9(14)6(11)10(15)13-8/h5,7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyDNKDXKCTNWRPPJ-UHFFFAOYSA-N
XLogP1.97
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66285557
5-bromo-2-butan-2-yl-4-hydroxy-1H-pyrimidin-6-one
CID 66285958
5-bromo-4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 66286357
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
5-bromo-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66287366
5-bromo-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201859
5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
5-bromo-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249139
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113554611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116705749) is 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(c1nc(O)c(Br)c(=O)[nH]1)C(C)C.
What is the InChIKey of 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DNKDXKCTNWRPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-4-16-7(5(2)3)8-12-9(14)6(11)10(15)13-8/h5,7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 291.15 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).