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

C13H15IN4S — CID 104771541

IUPAC6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2nc(C)cs2)nc(C2CC2)c1I
InChIInChI=1S/C13H15IN4S/c1-3-15-11-9(14)10(8-4-5-8)17-12(18-11)13-16-7(2)6-19-13/h6,8H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyQJVKUPKSTDHJNO-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.82
Rot. Bonds4

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

6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 104771541) has the molecular formula C13H15IN4S and a molecular weight of 386.26 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID104771541
Molecular FormulaC13H15IN4S
Molecular Weight386.26 g/mol
Exact Mass386.01
IUPAC Name6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2nc(C)cs2)nc(C2CC2)c1I
InChIInChI=1S/C13H15IN4S/c1-3-15-11-9(14)10(8-4-5-8)17-12(18-11)13-16-7(2)6-19-13/h6,8H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyQJVKUPKSTDHJNO-UHFFFAOYSA-N
XLogP3.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.82
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-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 104771541) is 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is CCNc1nc(-c2nc(C)cs2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is QJVKUPKSTDHJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4S/c1-3-15-11-9(14)10(8-4-5-8)17-12(18-11)13-16-7(2)6-19-13/h6,8H,3-5H2,1-2H3,(H,15,17,18).
What are the key properties of 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 386.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 104771541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).