4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine

C12H18N2O — CID 168800060

IUPAC4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(C2CCC2)c1C(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)10-11(9-5-4-6-9)13-7-14-12(10)15-3/h7-9H,4-6H2,1-3H3
InChIKeyCIPBRDFADROZEH-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.88
Rot. Bonds3

About 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine

4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine (PubChem CID 168800060) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine
PubChem CID168800060
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(C2CCC2)c1C(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)10-11(9-5-4-6-9)13-7-14-12(10)15-3/h7-9H,4-6H2,1-3H3
InChIKeyCIPBRDFADROZEH-UHFFFAOYSA-N
XLogP2.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine?
The IUPAC name of 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine (CID 168800060) is 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine is COc1ncnc(C2CCC2)c1C(C)C.
What is the InChIKey of 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine?
The InChIKey is CIPBRDFADROZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)10-11(9-5-4-6-9)13-7-14-12(10)15-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine?
4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine has a molecular weight of 206.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methoxy-5-propan-2-ylpyrimidine is sourced from PubChem (CID 168800060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).