6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile

C11H15N3O — CID 107546085

IUPAC6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
SMILESCCCC(C)Oc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H15N3O/c1-4-5-9(3)15-11-13-8(2)6-10(7-12)14-11/h6,9H,4-5H2,1-3H3
InChIKeyGREYBJDPSYZCLO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.22
Rot. Bonds4

About 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile

6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile (PubChem CID 107546085) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
PubChem CID107546085
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
SMILESCCCC(C)Oc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H15N3O/c1-4-5-9(3)15-11-13-8(2)6-10(7-12)14-11/h6,9H,4-5H2,1-3H3
InChIKeyGREYBJDPSYZCLO-UHFFFAOYSA-N
XLogP2.22
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile (CID 107546085) is 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile is CCCC(C)Oc1nc(C)cc(C#N)n1.
What is the InChIKey of 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile?
The InChIKey is GREYBJDPSYZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-5-9(3)15-11-13-8(2)6-10(7-12)14-11/h6,9H,4-5H2,1-3H3.
What are the key properties of 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile?
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107546085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).