4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine

C9H12Cl2N2O — CID 79202179

IUPAC4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine
SMILESCOC(C)(C)c1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H12Cl2N2O/c1-5-6(10)12-8(13-7(5)11)9(2,3)14-4/h1-4H3
InChIKeyKKWZGFKEPCSRBF-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.97
Rot. Bonds2

About 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine

4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine (PubChem CID 79202179) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine
PubChem CID79202179
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine
SMILESCOC(C)(C)c1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H12Cl2N2O/c1-5-6(10)12-8(13-7(5)11)9(2,3)14-4/h1-4H3
InChIKeyKKWZGFKEPCSRBF-UHFFFAOYSA-N
XLogP2.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-fluoro-2-(2-methoxypropan-2-yl)pyrimidine
CID 80550213
4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine
CID 79203143
5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine
CID 79438216
4-chloro-2-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 79201968
4,6-dichloro-5-methyl-2-(trifluoromethyl)pyrimidine
CID 58035237
2-(2-methoxypropan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 79198181
1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 79197493
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
N-[[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 79197963
4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
CID 63612316
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
CID 63892135

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine (CID 79202179) is 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine is COC(C)(C)c1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine?
The InChIKey is KKWZGFKEPCSRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-5-6(10)12-8(13-7(5)11)9(2,3)14-4/h1-4H3.
What are the key properties of 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine?
4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine has a molecular weight of 235.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-methoxypropan-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 79202179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).