4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine

C15H17ClN2O — CID 116706116

IUPAC4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine
SMILESCOC(c1nc(Cl)cc(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C15H17ClN2O/c1-10(2)14(19-3)15-17-12(9-13(16)18-15)11-7-5-4-6-8-11/h4-10,14H,1-3H3
InChIKeyGMTSTMGIFAOZTB-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine

4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine (PubChem CID 116706116) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine
PubChem CID116706116
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine
SMILESCOC(c1nc(Cl)cc(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C15H17ClN2O/c1-10(2)14(19-3)15-17-12(9-13(16)18-15)11-7-5-4-6-8-11/h4-10,14H,1-3H3
InChIKeyGMTSTMGIFAOZTB-UHFFFAOYSA-N
XLogP4.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxy-2-methylpropyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 116728724
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80952817
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
CID 116745666
2-chloro-6-phenyl-N-propan-2-ylpyridin-4-amine
CID 149329432
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 80952960
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine (CID 116706116) is 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine is COC(c1nc(Cl)cc(-c2ccccc2)n1)C(C)C.
What is the InChIKey of 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine?
The InChIKey is GMTSTMGIFAOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(2)14(19-3)15-17-12(9-13(16)18-15)11-7-5-4-6-8-11/h4-10,14H,1-3H3.
What are the key properties of 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine?
4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine is sourced from PubChem (CID 116706116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).