4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine

C17H19ClN2O — CID 64506792

IUPAC4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(-c2cccc3c2OC(C)(C)C3)nc(Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-5-13-10(2)15(18)20-16(19-13)12-8-6-7-11-9-17(3,4)21-14(11)12/h6-8H,5,9H2,1-4H3
InChIKeyRQELPWAHDSYSBR-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine (PubChem CID 64506792) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine
PubChem CID64506792
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(-c2cccc3c2OC(C)(C)C3)nc(Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-5-13-10(2)15(18)20-16(19-13)12-8-6-7-11-9-17(3,4)21-14(11)12/h6-8H,5,9H2,1-4H3
InChIKeyRQELPWAHDSYSBR-UHFFFAOYSA-N
XLogP4.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodopyrimidine
CID 66311639
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine
CID 64509260
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
CID 64506573
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297626
N-[[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 64507015
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64509038
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
CID 64507252
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
CID 56698151
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
CID 64690327
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
CID 64506808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine (CID 64506792) is 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine is CCc1nc(-c2cccc3c2OC(C)(C)C3)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine?
The InChIKey is RQELPWAHDSYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-5-13-10(2)15(18)20-16(19-13)12-8-6-7-11-9-17(3,4)21-14(11)12/h6-8H,5,9H2,1-4H3.
What are the key properties of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine has a molecular weight of 302.81 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 64506792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).