2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

C10H10ClIN4S — CID 107125357

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ncc(Cl)s2)nc(NC)c1I
InChIInChI=1S/C10H10ClIN4S/c1-3-5-7(12)8(13-2)16-9(15-5)10-14-4-6(11)17-10/h4H,3H2,1-2H3,(H,13,15,16)
InChIKeyQUIJCDFFLCLZPD-UHFFFAOYSA-N
MW380.64 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 107125357) has the molecular formula C10H10ClIN4S and a molecular weight of 380.64 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID107125357
Molecular FormulaC10H10ClIN4S
Molecular Weight380.64 g/mol
Exact Mass379.94
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ncc(Cl)s2)nc(NC)c1I
InChIInChI=1S/C10H10ClIN4S/c1-3-5-7(12)8(13-2)16-9(15-5)10-14-4-6(11)17-10/h4H,3H2,1-2H3,(H,13,15,16)
InChIKeyQUIJCDFFLCLZPD-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 107125354
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 107125369
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 107125379
2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 107125278
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 107125280
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257
6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 66298495

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (CID 107125357) is 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is CCc1nc(-c2ncc(Cl)s2)nc(NC)c1I.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is QUIJCDFFLCLZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4S/c1-3-5-7(12)8(13-2)16-9(15-5)10-14-4-6(11)17-10/h4H,3H2,1-2H3,(H,13,15,16).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 380.64 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107125357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).