1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine

C15H17N3O — CID 116897942

IUPAC1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
SMILESCC(N)Cc1nccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H17N3O/c1-10(16)8-15-17-6-4-13(18-15)11-2-3-14-12(9-11)5-7-19-14/h2-4,6,9-10H,5,7-8,16H2,1H3
InChIKeyBCQHBHCICYUERI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.97
Rot. Bonds3

About 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine

1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine (PubChem CID 116897942) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
PubChem CID116897942
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
SMILESCC(N)Cc1nccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H17N3O/c1-10(16)8-15-17-6-4-13(18-15)11-2-3-14-12(9-11)5-7-19-14/h2-4,6,9-10H,5,7-8,16H2,1H3
InChIKeyBCQHBHCICYUERI-UHFFFAOYSA-N
XLogP1.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
CID 116903796
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
4-(3,4-dichlorophenyl)-2-(2-methylpropyl)pyrimidine
CID 71282614
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62018689
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970422
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine (CID 116897942) is 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine is CC(N)Cc1nccc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine?
The InChIKey is BCQHBHCICYUERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(16)8-15-17-6-4-13(18-15)11-2-3-14-12(9-11)5-7-19-14/h2-4,6,9-10H,5,7-8,16H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine?
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116897942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).