2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine

C13H11ClN2O2 — CID 116897393

IUPAC2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
SMILESCc1cc(-c2cc3c(cc2C)OCO3)nc(Cl)n1
InChIInChI=1S/C13H11ClN2O2/c1-7-3-11-12(18-6-17-11)5-9(7)10-4-8(2)15-13(14)16-10/h3-5H,6H2,1-2H3
InChIKeyRUMMFUPQHSMJRH-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.14
Rot. Bonds1

About 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine

2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine (PubChem CID 116897393) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
PubChem CID116897393
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
SMILESCc1cc(-c2cc3c(cc2C)OCO3)nc(Cl)n1
InChIInChI=1S/C13H11ClN2O2/c1-7-3-11-12(18-6-17-11)5-9(7)10-4-8(2)15-13(14)16-10/h3-5H,6H2,1-2H3
InChIKeyRUMMFUPQHSMJRH-UHFFFAOYSA-N
XLogP3.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
2-chloro-4-(2-chlorophenyl)-6-methylpyrimidine
CID 79073157
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
2-chloro-4-methyl-6-pyrimidin-5-ylpyrimidine
CID 79072665
N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 116823971
[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 116868184
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
2-(1,3-benzodioxol-5-yl)-4-chloro-6-methylpyrimidine
CID 43557789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine (CID 116897393) is 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine is Cc1cc(-c2cc3c(cc2C)OCO3)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine?
The InChIKey is RUMMFUPQHSMJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-7-3-11-12(18-6-17-11)5-9(7)10-4-8(2)15-13(14)16-10/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine?
2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine has a molecular weight of 262.70 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine is sourced from PubChem (CID 116897393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).