4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine

C9H8IN3S — CID 53426321

IUPAC4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(I)s2)nc(N)n1
InChIInChI=1S/C9H8IN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13)
InChIKeyHOYXBBCWVHDVLZ-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.70
Rot. Bonds1

About 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine

4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine (PubChem CID 53426321) has the molecular formula C9H8IN3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine
PubChem CID53426321
Molecular FormulaC9H8IN3S
Molecular Weight317.16 g/mol
Exact Mass316.95
IUPAC Name4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(I)s2)nc(N)n1
InChIInChI=1S/C9H8IN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13)
InChIKeyHOYXBBCWVHDVLZ-UHFFFAOYSA-N
XLogP2.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.70
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 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine (CID 53426321) is 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc(I)s2)nc(N)n1.
What is the InChIKey of 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine?
The InChIKey is HOYXBBCWVHDVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine?
4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine has a molecular weight of 317.16 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 53426321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).