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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Related Compounds

CID 44531381
CID 44531381
CID 44433816
CID 44433816
CID 53440048
CID 53440048
CID 40011608
CID 40011608
CID 44577026
CID 44577026
CID 56705283
CID 56705283
CID 56711975
CID 56711975
CID 72907430
CID 72907430
CID 95206013
CID 95206013
CID 97194936
CID 97194936
CID 171359091
CID 171359091
CID 171359095
CID 171359095

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).