4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine

C17H21ClN2O — CID 80943134

IUPAC4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
SMILESCCC(C)c1ccccc1Oc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C17H21ClN2O/c1-5-12(4)13-8-6-7-9-14(13)21-16-10-15(18)19-17(20-16)11(2)3/h6-12H,5H2,1-4H3
InChIKeyYQDMFVNSEGWCGZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.56
Rot. Bonds5

About 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine

4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine (PubChem CID 80943134) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
PubChem CID80943134
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
SMILESCCC(C)c1ccccc1Oc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C17H21ClN2O/c1-5-12(4)13-8-6-7-9-14(13)21-16-10-15(18)19-17(20-16)11(2)3/h6-12H,5H2,1-4H3
InChIKeyYQDMFVNSEGWCGZ-UHFFFAOYSA-N
XLogP5.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948461
4-chloro-2-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 80944790
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
CID 61268989
6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760712
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657756

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine (CID 80943134) is 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine is CCC(C)c1ccccc1Oc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine?
The InChIKey is YQDMFVNSEGWCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-5-12(4)13-8-6-7-9-14(13)21-16-10-15(18)19-17(20-16)11(2)3/h6-12H,5H2,1-4H3.
What are the key properties of 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine?
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine has a molecular weight of 304.82 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80943134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).