2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine

C17H21ClN2O — CID 80946930

IUPAC2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccccc1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C17H21ClN2O/c1-11(2)21-14-9-7-6-8-12(14)13-10-15(18)20-16(19-13)17(3,4)5/h6-11H,1-5H3
InChIKeyLBCPSGNERZMPEE-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.88
Rot. Bonds3

About 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine

2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine (PubChem CID 80946930) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
PubChem CID80946930
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccccc1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C17H21ClN2O/c1-11(2)21-14-9-7-6-8-12(14)13-10-15(18)20-16(19-13)17(3,4)5/h6-11H,1-5H3
InChIKeyLBCPSGNERZMPEE-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80952311
2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
CID 116811210
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
2-tert-butyl-4-chloro-6-(2-cyclobutylphenyl)pyrimidine
CID 114606804
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
2-tert-butyl-6-(2-propan-2-yloxyphenyl)-1H-pyrimidine-4-thione
CID 106519328
2-tert-butyl-4-chloro-6-(2,4,5-trifluorophenyl)pyrimidine
CID 115503244
2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80952600
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine (CID 80946930) is 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1ccccc1-c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is LBCPSGNERZMPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11(2)21-14-9-7-6-8-12(14)13-10-15(18)20-16(19-13)17(3,4)5/h6-11H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine?
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 304.82 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 80946930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).