2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine

C12H20N2O2 — CID 170361066

IUPAC2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine
SMILESCOc1nc(OC)c(C(C)C)c(C(C)C)n1
InChIInChI=1S/C12H20N2O2/c1-7(2)9-10(8(3)4)13-12(16-6)14-11(9)15-5/h7-8H,1-6H3
InChIKeyXOSDNPHDNJTYEM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.74
Rot. Bonds4

About 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine

2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine (PubChem CID 170361066) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine
PubChem CID170361066
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine
SMILESCOc1nc(OC)c(C(C)C)c(C(C)C)n1
InChIInChI=1S/C12H20N2O2/c1-7(2)9-10(8(3)4)13-12(16-6)14-11(9)15-5/h7-8H,1-6H3
InChIKeyXOSDNPHDNJTYEM-UHFFFAOYSA-N
XLogP2.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885005
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885006
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885140
5-(2-Chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885143
[2-(Acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
CID 56658402
4-Methoxy-7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 118741016
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
2-Chloro-4-ethyl-5-fluoro-6-methoxypyrimidine
CID 58252166
2-Chloro-5-fluoro-4-methoxy-6-propylpyrimidine
CID 58252170

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine (CID 170361066) is 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine is COc1nc(OC)c(C(C)C)c(C(C)C)n1.
What is the InChIKey of 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine?
The InChIKey is XOSDNPHDNJTYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(2)9-10(8(3)4)13-12(16-6)14-11(9)15-5/h7-8H,1-6H3.
What are the key properties of 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine?
2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine has a molecular weight of 224.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 170361066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).