4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine

C17H19ClN2O — CID 64509260

IUPAC4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C17H19ClN2O/c1-4-6-12-9-14(18)20-16(19-12)13-8-5-7-11-10-17(2,3)21-15(11)13/h5,7-9H,4,6,10H2,1-3H3
InChIKeyBNMHGSNEUOSROV-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.46
Rot. Bonds3

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

4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine (PubChem CID 64509260) 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-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine
PubChem CID64509260
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C17H19ClN2O/c1-4-6-12-9-14(18)20-16(19-12)13-8-5-7-11-10-17(2,3)21-15(11)13/h5,7-9H,4,6,10H2,1-3H3
InChIKeyBNMHGSNEUOSROV-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.46
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-ethyl-5-methylpyrimidine
CID 64506792
4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
CID 64506573
8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
CID 63969297
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)pyrimidin-5-amine
CID 64506787
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774
4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine
CID 62345963
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297626
5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole
CID 154848291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine (CID 64509260) is 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2cccc3c2OC(C)(C)C3)n1.
What is the InChIKey of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine?
The InChIKey is BNMHGSNEUOSROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-4-6-12-9-14(18)20-16(19-12)13-8-5-7-11-10-17(2,3)21-15(11)13/h5,7-9H,4,6,10H2,1-3H3.
What are the key properties of 4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine?
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine has a molecular weight of 302.81 g/mol, XLogP of 4.46, 3 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-propylpyrimidine is sourced from PubChem (CID 64509260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).