2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine

C14H14IN3O — CID 66295990

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(-c2ccc3c(c2)CCO3)nc(N)c1I
InChIInChI=1S/C14H14IN3O/c1-2-10-12(15)13(16)18-14(17-10)9-3-4-11-8(7-9)5-6-19-11/h3-4,7H,2,5-6H2,1H3,(H2,16,17,18)
InChIKeyCVROIOQQUBIYEL-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.83
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine

2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66295990) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
PubChem CID66295990
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(-c2ccc3c(c2)CCO3)nc(N)c1I
InChIInChI=1S/C14H14IN3O/c1-2-10-12(15)13(16)18-14(17-10)9-3-4-11-8(7-9)5-6-19-11/h3-4,7H,2,5-6H2,1H3,(H2,16,17,18)
InChIKeyCVROIOQQUBIYEL-UHFFFAOYSA-N
XLogP2.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
6-ethyl-5-iodo-2-(4-methylphenyl)pyrimidin-4-amine
CID 66298872
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 66313992
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865157
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250356
6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295603

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine (CID 66295990) is 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine is CCc1nc(-c2ccc3c(c2)CCO3)nc(N)c1I.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is CVROIOQQUBIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c1-2-10-12(15)13(16)18-14(17-10)9-3-4-11-8(7-9)5-6-19-11/h3-4,7H,2,5-6H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine?
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 367.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66295990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).