(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate

C8H10N2O3 — CID 101076416

IUPAC(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate
SMILESCC(=O)OCc1cnc(C)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-5-9-3-7(8(12)10-5)4-13-6(2)11/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyAGQNVVYTCLAXOQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.14
Rot. Bonds2

About (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate

(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate (PubChem CID 101076416) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate.

Molecular Properties

Compound Name(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate
PubChem CID101076416
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate
SMILESCC(=O)OCc1cnc(C)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-5-9-3-7(8(12)10-5)4-13-6(2)11/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyAGQNVVYTCLAXOQ-UHFFFAOYSA-N
XLogP0.14
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
CID 293750
Ethyl 2-(tert-butyl)-4-hydroxypyrimidine-5-carboxylate
CID 2304284
Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 12363082
Ethyl 2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 24903910
Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 5063336
5-(Ethoxymethyl)-2-methylpyrimidin-4(3h)-one
CID 224568
ethyl 2-(fluoromethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 53765173
Ethyl 2-(1,1-Difluoroethyl)-4-hydroxypyrimidine-5-carboxylate
CID 162422182
ethyl 2-(1,1-difluoroethyl)-6-oxo-1H-pyrimidine-5-carboxylate;molecular hydrogen
CID 177176223
ethyl 6-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxylate
CID 62022072
ethyl 6-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-5-carboxylate
CID 79965019
ethyl 6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-5-carboxylate
CID 103150197

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate?
The IUPAC name of (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate (CID 101076416) is (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate.
What is the SMILES notation for (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate?
The canonical SMILES for (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate is CC(=O)OCc1cnc(C)[nH]c1=O.
What is the InChIKey of (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate?
The InChIKey is AGQNVVYTCLAXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-9-3-7(8(12)10-5)4-13-6(2)11/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate?
(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate has a molecular weight of 182.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl acetate is sourced from PubChem (CID 101076416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).