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

C12H13IN4S — CID 113472434

IUPAC6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2csc(C)n2)nc(C2CC2)c1I
InChIInChI=1S/C12H13IN4S/c1-6-15-8(5-18-6)11-16-10(7-3-4-7)9(13)12(14-2)17-11/h5,7H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyFJBFCXAZYRQHIL-UHFFFAOYSA-N
MW372.24 g/mol
LogP3.43
Rot. Bonds3

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

6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (PubChem CID 113472434) has the molecular formula C12H13IN4S and a molecular weight of 372.24 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
PubChem CID113472434
Molecular FormulaC12H13IN4S
Molecular Weight372.24 g/mol
Exact Mass371.99
IUPAC Name6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2csc(C)n2)nc(C2CC2)c1I
InChIInChI=1S/C12H13IN4S/c1-6-15-8(5-18-6)11-16-10(7-3-4-7)9(13)12(14-2)17-11/h5,7H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyFJBFCXAZYRQHIL-UHFFFAOYSA-N
XLogP3.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 53.43
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 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (CID 113472434) is 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2csc(C)n2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The InChIKey is FJBFCXAZYRQHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4S/c1-6-15-8(5-18-6)11-16-10(7-3-4-7)9(13)12(14-2)17-11/h5,7H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine has a molecular weight of 372.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 113472434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).