5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine

C8H7IN4S — CID 104844392

IUPAC5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCc2cncs2)nc1
InChIInChI=1S/C8H7IN4S/c9-6-1-11-8(12-2-6)13-4-7-3-10-5-14-7/h1-3,5H,4H2,(H,11,12,13)
InChIKeyCYKUFBMTZFNYIS-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.15
Rot. Bonds3

About 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine

5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine (PubChem CID 104844392) has the molecular formula C8H7IN4S and a molecular weight of 318.14 g/mol. Its IUPAC name is 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
PubChem CID104844392
Molecular FormulaC8H7IN4S
Molecular Weight318.14 g/mol
Exact Mass317.94
IUPAC Name5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCc2cncs2)nc1
InChIInChI=1S/C8H7IN4S/c9-6-1-11-8(12-2-6)13-4-7-3-10-5-14-7/h1-3,5H,4H2,(H,11,12,13)
InChIKeyCYKUFBMTZFNYIS-UHFFFAOYSA-N
XLogP2.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine (CID 104844392) is 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine is Ic1cnc(NCc2cncs2)nc1.
What is the InChIKey of 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is CYKUFBMTZFNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4S/c9-6-1-11-8(12-2-6)13-4-7-3-10-5-14-7/h1-3,5H,4H2,(H,11,12,13).
What are the key properties of 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine?
5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 318.14 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 104844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).