5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C10H11IN4S — CID 66307490

IUPAC5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cc2nc(C)c(I)c(N)n2)cs1
InChIInChI=1S/C10H11IN4S/c1-5-9(11)10(12)15-8(13-5)3-7-4-16-6(2)14-7/h4H,3H2,1-2H3,(H2,12,13,15)
InChIKeyAYBJQSVFHNQECZ-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.33
Rot. Bonds2

About 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66307490) has the molecular formula C10H11IN4S and a molecular weight of 346.20 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID66307490
Molecular FormulaC10H11IN4S
Molecular Weight346.20 g/mol
Exact Mass345.97
IUPAC Name5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cc2nc(C)c(I)c(N)n2)cs1
InChIInChI=1S/C10H11IN4S/c1-5-9(11)10(12)15-8(13-5)3-7-4-16-6(2)14-7/h4H,3H2,1-2H3,(H2,12,13,15)
InChIKeyAYBJQSVFHNQECZ-UHFFFAOYSA-N
XLogP2.33
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 66307490) is 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc(Cc2nc(C)c(I)c(N)n2)cs1.
What is the InChIKey of 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is AYBJQSVFHNQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4S/c1-5-9(11)10(12)15-8(13-5)3-7-4-16-6(2)14-7/h4H,3H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 346.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66307490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).