2-butan-2-yloxypyrimidine

C8H12N2O — CID 54362243

IUPAC2-butan-2-yloxypyrimidine
SMILESCCC(C)Oc1ncccn1
InChIInChI=1S/C8H12N2O/c1-3-7(2)11-8-9-5-4-6-10-8/h4-7H,3H2,1-2H3
InChIKeyANQPXMRNSINILE-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.65
Rot. Bonds3

About 2-butan-2-yloxypyrimidine

2-butan-2-yloxypyrimidine (PubChem CID 54362243) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-butan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-butan-2-yloxypyrimidine
PubChem CID54362243
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-butan-2-yloxypyrimidine
SMILESCCC(C)Oc1ncccn1
InChIInChI=1S/C8H12N2O/c1-3-7(2)11-8-9-5-4-6-10-8/h4-7H,3H2,1-2H3
InChIKeyANQPXMRNSINILE-UHFFFAOYSA-N
XLogP1.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Methoxypyrimidine
CID 136730
2-O-Methylcytosine
CID 160679
2-Methylpyrimidine
CID 78748
N,N-Dimethylpyrimidin-4-amine
CID 579196
2-Dimethylaminopyrimidine
CID 521717
Pyrimidine, 2-(1,1-dimethylethyl)-
CID 94597
4-Chloro-2-methoxypyrimidine
CID 575230
2-Pyrimidinamine, N-butyl-
CID 4357527
2,4-Bis(dimethylamino)pyrimidine
CID 239962
2-(Tributylstannyl)pyrimidine
CID 2763251

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxypyrimidine?
The IUPAC name of 2-butan-2-yloxypyrimidine (CID 54362243) is 2-butan-2-yloxypyrimidine.
What is the SMILES notation for 2-butan-2-yloxypyrimidine?
The canonical SMILES for 2-butan-2-yloxypyrimidine is CCC(C)Oc1ncccn1.
What is the InChIKey of 2-butan-2-yloxypyrimidine?
The InChIKey is ANQPXMRNSINILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7(2)11-8-9-5-4-6-10-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxypyrimidine?
2-butan-2-yloxypyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxypyrimidine is sourced from PubChem (CID 54362243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).