2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine

C13H11ClN2O — CID 104544715

IUPAC2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc3c(c2)CCO3)nc(Cl)n1
InChIInChI=1S/C13H11ClN2O/c1-8-6-11(16-13(14)15-8)9-2-3-12-10(7-9)4-5-17-12/h2-3,6-7H,4-5H2,1H3
InChIKeyHNANBFLVRSFCBL-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.04
Rot. Bonds1

About 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine

2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine (PubChem CID 104544715) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
PubChem CID104544715
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc3c(c2)CCO3)nc(Cl)n1
InChIInChI=1S/C13H11ClN2O/c1-8-6-11(16-13(14)15-8)9-2-3-12-10(7-9)4-5-17-12/h2-3,6-7H,4-5H2,1H3
InChIKeyHNANBFLVRSFCBL-UHFFFAOYSA-N
XLogP3.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
CID 102716482
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250356
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104544765
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 170503224
6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 104544727
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine (CID 104544715) is 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine is Cc1cc(-c2ccc3c(c2)CCO3)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine?
The InChIKey is HNANBFLVRSFCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-8-6-11(16-13(14)15-8)9-2-3-12-10(7-9)4-5-17-12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine?
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine has a molecular weight of 246.70 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine is sourced from PubChem (CID 104544715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).