2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile

C9H10ClN3O2 — CID 3750442

IUPAC2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile
SMILESCOc1nc(OC(C)C#N)nc(C)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-5(4-11)15-9-12-6(2)7(10)8(13-9)14-3/h5H,1-3H3
InChIKeyCWLNLZLFEYXVDY-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.74
Rot. Bonds3

About 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile

2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile (PubChem CID 3750442) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile
PubChem CID3750442
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile
SMILESCOc1nc(OC(C)C#N)nc(C)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-5(4-11)15-9-12-6(2)7(10)8(13-9)14-3/h5H,1-3H3
InChIKeyCWLNLZLFEYXVDY-UHFFFAOYSA-N
XLogP1.74
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2,5-dichloro-4-methoxy-6-trichloromethyl-
CID 3057451
N-(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)acetamide
CID 777156
Methyl [(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxy]acetate
CID 911298
2-(6-Methoxy-4-methylpyrimidinyl-2-oxy)propiononitrile
CID 85833153
5-Chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 13026351
5-Chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
CID 13086913
5-Chloro-2-fluoro-4-methoxy-6-methylpyrimidine
CID 13630768
Methyl 2-[(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)oxy]propanoate
CID 12006821
5-Chloro-4-Ethoxycarbonyloxy-6-Methyl-2-Trichloromethylpyrimidine
CID 13080165
5-Chloro-4-methoxy-6-methylpyrimidin-2-amine
CID 13097302
5-Chloro-4-methoxy-6-methylpyrimidine
CID 18953278
2,5-Dichloro-4-methoxy-6-methylpyrimidine
CID 19100541

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile?
The IUPAC name of 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile (CID 3750442) is 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile.
What is the SMILES notation for 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile?
The canonical SMILES for 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile is COc1nc(OC(C)C#N)nc(C)c1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile?
The InChIKey is CWLNLZLFEYXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5(4-11)15-9-12-6(2)7(10)8(13-9)14-3/h5H,1-3H3.
What are the key properties of 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile?
2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile has a molecular weight of 227.65 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxypropanenitrile is sourced from PubChem (CID 3750442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).