2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine

C15H12IN3O — CID 66306045

IUPAC2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(-c2ccoc2)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H12IN3O/c1-17-15-12(16)13(10-5-3-2-4-6-10)18-14(19-15)11-7-8-20-9-11/h2-9H,1H3,(H,17,18,19)
InChIKeyTTYPPRZFTCOZBW-UHFFFAOYSA-N
MW377.19 g/mol
LogP4.05
Rot. Bonds3

About 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine

2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 66306045) has the molecular formula C15H12IN3O and a molecular weight of 377.19 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID66306045
Molecular FormulaC15H12IN3O
Molecular Weight377.19 g/mol
Exact Mass377.00
IUPAC Name2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(-c2ccoc2)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H12IN3O/c1-17-15-12(16)13(10-5-3-2-4-6-10)18-14(19-15)11-7-8-20-9-11/h2-9H,1H3,(H,17,18,19)
InChIKeyTTYPPRZFTCOZBW-UHFFFAOYSA-N
XLogP4.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine (CID 66306045) is 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine is CNc1nc(-c2ccoc2)nc(-c2ccccc2)c1I.
What is the InChIKey of 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is TTYPPRZFTCOZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O/c1-17-15-12(16)13(10-5-3-2-4-6-10)18-14(19-15)11-7-8-20-9-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 377.19 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66306045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).