4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine

C16H17ClN2O — CID 114523154

IUPAC4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(-c2cccc(OC3CC3)c2)n1
InChIInChI=1S/C16H17ClN2O/c1-10(2)16-18-14(9-15(17)19-16)11-4-3-5-13(8-11)20-12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3
InChIKeyXAGQFIQAWSTHPT-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine

4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine (PubChem CID 114523154) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine
PubChem CID114523154
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(-c2cccc(OC3CC3)c2)n1
InChIInChI=1S/C16H17ClN2O/c1-10(2)16-18-14(9-15(17)19-16)11-4-3-5-13(8-11)20-12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3
InChIKeyXAGQFIQAWSTHPT-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770300
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 80952960
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770296
4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768965
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine
CID 116706116
2-(3-cyclopropyloxyphenyl)-N-ethylpyridin-4-amine
CID 102825016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine (CID 114523154) is 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(-c2cccc(OC3CC3)c2)n1.
What is the InChIKey of 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine?
The InChIKey is XAGQFIQAWSTHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10(2)16-18-14(9-15(17)19-16)11-4-3-5-13(8-11)20-12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3.
What are the key properties of 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine?
4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine has a molecular weight of 288.78 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 114523154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).