2-[(2R)-butan-2-yl]-5-methoxypyrimidine

C9H14N2O — CID 139509123

IUPAC2-[(2R)-butan-2-yl]-5-methoxypyrimidine
SMILESCC[C@@H](C)c1ncc(OC)cn1
InChIInChI=1S/C9H14N2O/c1-4-7(2)9-10-5-8(12-3)6-11-9/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyBBWNMWRJHHBIOR-SSDOTTSWSA-N
MW166.22 g/mol
LogP2.00
Rot. Bonds3

About 2-[(2R)-butan-2-yl]-5-methoxypyrimidine

2-[(2R)-butan-2-yl]-5-methoxypyrimidine (PubChem CID 139509123) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-5-methoxypyrimidine
PubChem CID139509123
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2R)-butan-2-yl]-5-methoxypyrimidine
SMILESCC[C@@H](C)c1ncc(OC)cn1
InChIInChI=1S/C9H14N2O/c1-4-7(2)9-10-5-8(12-3)6-11-9/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyBBWNMWRJHHBIOR-SSDOTTSWSA-N
XLogP2.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-5-methoxypyrimidine?
The IUPAC name of 2-[(2R)-butan-2-yl]-5-methoxypyrimidine (CID 139509123) is 2-[(2R)-butan-2-yl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-5-methoxypyrimidine?
The canonical SMILES for 2-[(2R)-butan-2-yl]-5-methoxypyrimidine is CC[C@@H](C)c1ncc(OC)cn1.
What is the InChIKey of 2-[(2R)-butan-2-yl]-5-methoxypyrimidine?
The InChIKey is BBWNMWRJHHBIOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7(2)9-10-5-8(12-3)6-11-9/h5-7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-5-methoxypyrimidine?
2-[(2R)-butan-2-yl]-5-methoxypyrimidine has a molecular weight of 166.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-5-methoxypyrimidine is sourced from PubChem (CID 139509123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).