5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine

C17H22N2O — CID 46831441

IUPAC5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine
SMILESCCC(C)Oc1cncnc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H22N2O/c1-5-13(4)20-16-10-18-11-19-17(16)15-8-6-14(7-9-15)12(2)3/h6-13H,5H2,1-4H3
InChIKeyXGUMZGHWZMSFOX-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.44
Rot. Bonds5

About 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine

5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine (PubChem CID 46831441) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine
PubChem CID46831441
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine
SMILESCCC(C)Oc1cncnc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H22N2O/c1-5-13(4)20-16-10-18-11-19-17(16)15-8-6-14(7-9-15)12(2)3/h6-13H,5H2,1-4H3
InChIKeyXGUMZGHWZMSFOX-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
2-N-oxido-4-(5-propan-2-yloxypyrimidin-4-yl)benzene-1,2-diamine
CID 140961349
4-(5-propan-2-ylpyrimidin-4-yl)aniline
CID 83886077
5-chloro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 105371122
3-methoxy-2-(4-propan-2-ylphenyl)pyridine
CID 135075051
3-butan-2-yloxypyridine-4-carbonitrile
CID 19432811
3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
CID 62016973
3-butan-2-yloxy-2-chloropyridine
CID 65102026
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
3-butan-2-yloxy-4-prop-1-en-2-ylpyridine
CID 176949415
6-[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]pyrimidine-4-carboxylate
CID 140735620
N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 114217110

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine (CID 46831441) is 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine is CCC(C)Oc1cncnc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine?
The InChIKey is XGUMZGHWZMSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-13(4)20-16-10-18-11-19-17(16)15-8-6-14(7-9-15)12(2)3/h6-13H,5H2,1-4H3.
What are the key properties of 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine?
5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine has a molecular weight of 270.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-4-(4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 46831441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).