5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine

C11H12IN3O — CID 66340189

IUPAC5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
SMILESCc1occc1CN(C)c1ncncc1I
InChIInChI=1S/C11H12IN3O/c1-8-9(3-4-16-8)6-15(2)11-10(12)5-13-7-14-11/h3-5,7H,6H2,1-2H3
InChIKeyZKNJUZXDMJKTIH-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.62
Rot. Bonds3

About 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine

5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine (PubChem CID 66340189) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
PubChem CID66340189
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
SMILESCc1occc1CN(C)c1ncncc1I
InChIInChI=1S/C11H12IN3O/c1-8-9(3-4-16-8)6-15(2)11-10(12)5-13-7-14-11/h3-5,7H,6H2,1-2H3
InChIKeyZKNJUZXDMJKTIH-UHFFFAOYSA-N
XLogP2.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
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 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine (CID 66340189) is 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine is Cc1occc1CN(C)c1ncncc1I.
What is the InChIKey of 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZKNJUZXDMJKTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-8-9(3-4-16-8)6-15(2)11-10(12)5-13-7-14-11/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 329.14 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66340189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).