2-butan-2-yloxypyrimidine-4-carbonitrile

C9H11N3O — CID 107545828

IUPAC2-butan-2-yloxypyrimidine-4-carbonitrile
SMILESCCC(C)Oc1nccc(C#N)n1
InChIInChI=1S/C9H11N3O/c1-3-7(2)13-9-11-5-4-8(6-10)12-9/h4-5,7H,3H2,1-2H3
InChIKeyOSYYNHMBEMLJJR-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.53
Rot. Bonds3

About 2-butan-2-yloxypyrimidine-4-carbonitrile

2-butan-2-yloxypyrimidine-4-carbonitrile (PubChem CID 107545828) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-butan-2-yloxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-butan-2-yloxypyrimidine-4-carbonitrile
PubChem CID107545828
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-butan-2-yloxypyrimidine-4-carbonitrile
SMILESCCC(C)Oc1nccc(C#N)n1
InChIInChI=1S/C9H11N3O/c1-3-7(2)13-9-11-5-4-8(6-10)12-9/h4-5,7H,3H2,1-2H3
InChIKeyOSYYNHMBEMLJJR-UHFFFAOYSA-N
XLogP1.53
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile
CID 107546099
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553105
2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
CID 107544315
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553088
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
CID 107545734
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxypyrimidine-4-carbonitrile?
The IUPAC name of 2-butan-2-yloxypyrimidine-4-carbonitrile (CID 107545828) is 2-butan-2-yloxypyrimidine-4-carbonitrile.
What is the SMILES notation for 2-butan-2-yloxypyrimidine-4-carbonitrile?
The canonical SMILES for 2-butan-2-yloxypyrimidine-4-carbonitrile is CCC(C)Oc1nccc(C#N)n1.
What is the InChIKey of 2-butan-2-yloxypyrimidine-4-carbonitrile?
The InChIKey is OSYYNHMBEMLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-7(2)13-9-11-5-4-8(6-10)12-9/h4-5,7H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxypyrimidine-4-carbonitrile?
2-butan-2-yloxypyrimidine-4-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107545828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).