6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine

C15H16ClN3O — CID 80951585

IUPAC6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC2COc3ccccc32)n1
InChIInChI=1S/C15H16ClN3O/c1-9(2)15-18-13(16)7-14(19-15)17-11-8-20-12-6-4-3-5-10(11)12/h3-7,9,11H,8H2,1-2H3,(H,17,18,19)
InChIKeyGZQCQWYGDQVWKG-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.80
Rot. Bonds3

About 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951585) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951585
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC2COc3ccccc32)n1
InChIInChI=1S/C15H16ClN3O/c1-9(2)15-18-13(16)7-14(19-15)17-11-8-20-12-6-4-3-5-10(11)12/h3-7,9,11H,8H2,1-2H3,(H,17,18,19)
InChIKeyGZQCQWYGDQVWKG-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80951585) is 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC2COc3ccccc32)n1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GZQCQWYGDQVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9(2)15-18-13(16)7-14(19-15)17-11-8-20-12-6-4-3-5-10(11)12/h3-7,9,11H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).