6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine

C11H18N2 — CID 167020076

IUPAC6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine
SMILESC=C1N=CC(C)=C([C@H](C)CC)N1C
InChIInChI=1S/C11H18N2/c1-6-8(2)11-9(3)7-12-10(4)13(11)5/h7-8H,4,6H2,1-3,5H3/t8-/m1/s1
InChIKeyQLXLSVNOFHQHCS-MRVPVSSYSA-N
MW178.28 g/mol
LogP2.79
Rot. Bonds2

About 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine

6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine (PubChem CID 167020076) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine
PubChem CID167020076
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine
SMILESC=C1N=CC(C)=C([C@H](C)CC)N1C
InChIInChI=1S/C11H18N2/c1-6-8(2)11-9(3)7-12-10(4)13(11)5/h7-8H,4,6H2,1-3,5H3/t8-/m1/s1
InChIKeyQLXLSVNOFHQHCS-MRVPVSSYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine?
The IUPAC name of 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine (CID 167020076) is 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine.
What is the SMILES notation for 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine?
The canonical SMILES for 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine is C=C1N=CC(C)=C([C@H](C)CC)N1C.
What is the InChIKey of 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine?
The InChIKey is QLXLSVNOFHQHCS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-8(2)11-9(3)7-12-10(4)13(11)5/h7-8H,4,6H2,1-3,5H3/t8-/m1/s1.
What are the key properties of 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine?
6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-butan-2-yl]-1,5-dimethyl-2-methylidenepyrimidine is sourced from PubChem (CID 167020076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).