(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate

C8H8ClFN2O3 — CID 23177802

IUPAC(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(C)nc(Cl)c1F
InChIInChI=1S/C8H8ClFN2O3/c1-3-14-8(13)15-7-5(10)6(9)11-4(2)12-7/h3H2,1-2H3
InChIKeyNCVLMHKXHFATKT-UHFFFAOYSA-N
MW234.61 g/mol
LogP2.11
Rot. Bonds2

About (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate

(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate (PubChem CID 23177802) has the molecular formula C8H8ClFN2O3 and a molecular weight of 234.61 g/mol. Its IUPAC name is (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
PubChem CID23177802
Molecular FormulaC8H8ClFN2O3
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(C)nc(Cl)c1F
InChIInChI=1S/C8H8ClFN2O3/c1-3-14-8(13)15-7-5(10)6(9)11-4(2)12-7/h3H2,1-2H3
InChIKeyNCVLMHKXHFATKT-UHFFFAOYSA-N
XLogP2.11
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
CID 23364517
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate
CID 87616939
ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane
CID 143061271
(4-carboxyoxy-1,2,5-oxadiazol-3-yl) ethyl carbonate
CID 70527253
(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate
CID 22925668
(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate
CID 22363959
(5-amino-2,3,4-trifluorophenyl) ethyl carbonate
CID 86749657
ethyl 4-chloro-2,7-dimethyl-8H-pyrimido[5,4-b][1,4]oxazine-6-carboxylate
CID 23739763
ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate
CID 10400199
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate?
The IUPAC name of (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate (CID 23177802) is (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate.
What is the SMILES notation for (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate?
The canonical SMILES for (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate is CCOC(=O)Oc1nc(C)nc(Cl)c1F.
What is the InChIKey of (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate?
The InChIKey is NCVLMHKXHFATKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3/c1-3-14-8(13)15-7-5(10)6(9)11-4(2)12-7/h3H2,1-2H3.
What are the key properties of (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate?
(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate has a molecular weight of 234.61 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate is sourced from PubChem (CID 23177802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).