methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate

C14H14Cl2N4O6 — CID 158349743

IUPACmethyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(=O)[nH]c1=O.COC(=O)c1c(C)nc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2.C7H8N2O4/c1-3-4(6(12)13-2)5(8)11-7(9)10-3;1-3-4(6(11)13-2)5(10)9-7(12)8-3/h1-2H3;1-2H3,(H2,8,9,10,12)
InChIKeyGSDYZDXFVFXIPL-UHFFFAOYSA-N
MW405.19 g/mol
LogP1.04
Rot. Bonds2

About methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate

methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 158349743) has the molecular formula C14H14Cl2N4O6 and a molecular weight of 405.19 g/mol. Its IUPAC name is methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID158349743
Molecular FormulaC14H14Cl2N4O6
Molecular Weight405.19 g/mol
Exact Mass404.03
IUPAC Namemethyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(=O)[nH]c1=O.COC(=O)c1c(C)nc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2.C7H8N2O4/c1-3-4(6(12)13-2)5(8)11-7(9)10-3;1-3-4(6(11)13-2)5(10)9-7(12)8-3/h1-2H3;1-2H3,(H2,8,9,10,12)
InChIKeyGSDYZDXFVFXIPL-UHFFFAOYSA-N
XLogP1.04
TPSA144.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione
CID 158205893
2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid
CID 166072347
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 135463590
methyl 5-chloro-4-formyl-2-methyl-1H-pyrrole-3-carboxylate
CID 146082003
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate
CID 169192937
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
CID 97114154

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 158349743) is methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate is COC(=O)c1c(C)[nH]c(=O)[nH]c1=O.COC(=O)c1c(C)nc(Cl)nc1Cl.
What is the InChIKey of methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is GSDYZDXFVFXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2.C7H8N2O4/c1-3-4(6(12)13-2)5(8)11-7(9)10-3;1-3-4(6(11)13-2)5(10)9-7(12)8-3/h1-2H3;1-2H3,(H2,8,9,10,12).
What are the key properties of methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 405.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 158349743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).