methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate

C8H9ClN2O2 — CID 115022124

IUPACmethyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-4-6(8(12)13-3)7(9)11-5(2)10-4/h1-3H3
InChIKeyUVGCMBWKSBOGFN-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.53
Rot. Bonds1

About methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate

methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate (PubChem CID 115022124) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
PubChem CID115022124
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-4-6(8(12)13-3)7(9)11-5(2)10-4/h1-3H3
InChIKeyUVGCMBWKSBOGFN-UHFFFAOYSA-N
XLogP1.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 158349743
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
CID 97114154
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid
CID 166072347
methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate
CID 118989948
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate
CID 59894472
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate (CID 115022124) is methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate?
The InChIKey is UVGCMBWKSBOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-4-6(8(12)13-3)7(9)11-5(2)10-4/h1-3H3.
What are the key properties of methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate?
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate is sourced from PubChem (CID 115022124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).