4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine

C17H15ClN2O — CID 80944180

IUPAC4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H15ClN2O/c1-11(2)17-19-15(18)10-16(20-17)21-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3
InChIKeyBCIFLLKCKNKSPY-UHFFFAOYSA-N
MW298.77 g/mol
LogP5.20
Rot. Bonds3

About 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine

4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine (PubChem CID 80944180) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
PubChem CID80944180
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H15ClN2O/c1-11(2)17-19-15(18)10-16(20-17)21-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3
InChIKeyBCIFLLKCKNKSPY-UHFFFAOYSA-N
XLogP5.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.77
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
CID 80944929
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-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566735
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine (CID 80944180) is 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine?
The InChIKey is BCIFLLKCKNKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(2)17-19-15(18)10-16(20-17)21-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3.
What are the key properties of 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine?
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine has a molecular weight of 298.77 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80944180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).