2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine

C14H15N3O — CID 64506787

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
SMILESCC1(C)Cc2cccc(-c3ncc(N)cn3)c2O1
InChIInChI=1S/C14H15N3O/c1-14(2)6-9-4-3-5-11(12(9)18-14)13-16-7-10(15)8-17-13/h3-5,7-8H,6,15H2,1-2H3
InChIKeyICGQTGFMQOSWOQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.44
Rot. Bonds1

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine (PubChem CID 64506787) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
PubChem CID64506787
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
SMILESCC1(C)Cc2cccc(-c3ncc(N)cn3)c2O1
InChIInChI=1S/C14H15N3O/c1-14(2)6-9-4-3-5-11(12(9)18-14)13-16-7-10(15)8-17-13/h3-5,7-8H,6,15H2,1-2H3
InChIKeyICGQTGFMQOSWOQ-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
CID 64507030
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297626
4,6-dichloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodopyrimidine
CID 66311639
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
CID 64506808
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methyl-4,5-dihydropyridazin-3-amine
CID 64691570
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
CID 64507252
[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol
CID 64508144
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidin-6-one
CID 66313164
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
CID 64690327
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine
CID 64506792
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine (CID 64506787) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine is CC1(C)Cc2cccc(-c3ncc(N)cn3)c2O1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine?
The InChIKey is ICGQTGFMQOSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)6-9-4-3-5-11(12(9)18-14)13-16-7-10(15)8-17-13/h3-5,7-8H,6,15H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine has a molecular weight of 241.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine is sourced from PubChem (CID 64506787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).