4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine

C9H13ClN2O — CID 129367902

IUPAC4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
SMILESCC[C@@H](C)Oc1cc(Cl)nc(C)n1
InChIInChI=1S/C9H13ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyRNJQNJGTUUSIIQ-ZCFIWIBFSA-N
MW200.67 g/mol
LogP2.62
Rot. Bonds3

About 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine

4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine (PubChem CID 129367902) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
PubChem CID129367902
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
SMILESCC[C@@H](C)Oc1cc(Cl)nc(C)n1
InChIInChI=1S/C9H13ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyRNJQNJGTUUSIIQ-ZCFIWIBFSA-N
XLogP2.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-6-chloro-2-methylsulfanylpyrimidine
CID 80544459
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
CID 80866444
4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277825
4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
CID 106794793
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine
CID 167801224
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
CID 62481699
2-butan-2-yloxy-6-chloropyrimidin-4-amine
CID 21147458
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240860
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860245
4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 80943695

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine?
The IUPAC name of 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine (CID 129367902) is 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine?
The canonical SMILES for 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine is CC[C@@H](C)Oc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine?
The InChIKey is RNJQNJGTUUSIIQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h5-6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine?
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine has a molecular weight of 200.67 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine is sourced from PubChem (CID 129367902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).