1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone

C18H22N2O2 — CID 133407215

IUPAC1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(C)C)nc(C(C)C)n2)cc1
InChIInChI=1S/C18H22N2O2/c1-11(2)16-10-17(20-18(19-16)12(3)4)22-15-8-6-14(7-9-15)13(5)21/h6-12H,1-5H3
InChIKeyBGQOSWGMQAUQKR-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.72
Rot. Bonds5

About 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone

1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone (PubChem CID 133407215) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone
PubChem CID133407215
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(C)C)nc(C(C)C)n2)cc1
InChIInChI=1S/C18H22N2O2/c1-11(2)16-10-17(20-18(19-16)12(3)4)22-15-8-6-14(7-9-15)13(5)21/h6-12H,1-5H3
InChIKeyBGQOSWGMQAUQKR-UHFFFAOYSA-N
XLogP4.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
(4-acetylphenyl) 2-propan-2-ylquinoline-4-carboxylate
CID 16562571
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
1-[4-(1-chloroethoxy)phenyl]ethanone
CID 21282318
4-(4-acetylphenoxy)benzoic acid
CID 60723234
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710217
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone (CID 133407215) is 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone is CC(=O)c1ccc(Oc2cc(C(C)C)nc(C(C)C)n2)cc1.
What is the InChIKey of 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone?
The InChIKey is BGQOSWGMQAUQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)16-10-17(20-18(19-16)12(3)4)22-15-8-6-14(7-9-15)13(5)21/h6-12H,1-5H3.
What are the key properties of 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone?
1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]oxyphenyl]ethanone is sourced from PubChem (CID 133407215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).