4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine

C14H11ClN2O — CID 123217025

IUPAC4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine
SMILESCc1nc(Cl)cc(-c2ccc3occ(C)c3c2)n1
InChIInChI=1S/C14H11ClN2O/c1-8-7-18-13-4-3-10(5-11(8)13)12-6-14(15)17-9(2)16-12/h3-7H,1-2H3
InChIKeySLSZXBVSADUBNU-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.16
Rot. Bonds1

About 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine

4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine (PubChem CID 123217025) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine
PubChem CID123217025
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine
SMILESCc1nc(Cl)cc(-c2ccc3occ(C)c3c2)n1
InChIInChI=1S/C14H11ClN2O/c1-8-7-18-13-4-3-10(5-11(8)13)12-6-14(15)17-9(2)16-12/h3-7H,1-2H3
InChIKeySLSZXBVSADUBNU-UHFFFAOYSA-N
XLogP4.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chlorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75359741
4-(1-Benzofuran-5-yl)-6-methylpyridin-2-amine
CID 166627502
6-(1-Benzofuran-5-yl)pyrimidine-2,4-diamine
CID 166632285
N-[(1S)-1-(3-bromophenyl)ethyl]-6-(3-ethyl-1-benzofuran-5-yl)-2-methylpyrimidin-4-amine
CID 70977052
2-Chloro-5-[1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 70977629
N-[(3-methoxyphenyl)methyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 70978741
N-[1-(2-fluoro-3-methoxyphenyl)ethyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 71465508
N-[1-[3-(furan-3-yl)phenyl]ethyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 123242362
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[1-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 123797772
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-(3-phenylphenyl)ethyl]pyrimidin-4-amine
CID 127024615
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyrimidin-4-amine
CID 127024633
4-N-[3-chloro-5-(furan-3-yl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 137647581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine (CID 123217025) is 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine is Cc1nc(Cl)cc(-c2ccc3occ(C)c3c2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine?
The InChIKey is SLSZXBVSADUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-7-18-13-4-3-10(5-11(8)13)12-6-14(15)17-9(2)16-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine?
4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine has a molecular weight of 258.71 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidine is sourced from PubChem (CID 123217025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).