4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine

C16H17ClN2O — CID 114747119

IUPAC4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-c1cccc2c1OCC2
InChIInChI=1S/C16H17ClN2O/c1-9(2)16-18-13(10(3)15(17)19-16)12-6-4-5-11-7-8-20-14(11)12/h4-6,9H,7-8H2,1-3H3
InChIKeyYOXQFKVYDZHVQS-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.16
Rot. Bonds2

About 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 114747119) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID114747119
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-c1cccc2c1OCC2
InChIInChI=1S/C16H17ClN2O/c1-9(2)16-18-13(10(3)15(17)19-16)12-6-4-5-11-7-8-20-14(11)12/h4-6,9H,7-8H2,1-3H3
InChIKeyYOXQFKVYDZHVQS-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine (CID 114747119) is 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1-c1cccc2c1OCC2.
What is the InChIKey of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is YOXQFKVYDZHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9(2)16-18-13(10(3)15(17)19-16)12-6-4-5-11-7-8-20-14(11)12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 288.78 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 114747119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).