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

C11H12ClIN4OS — CID 107125369

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(Cl)s2)nc(COC)c1I
InChIInChI=1S/C11H12ClIN4OS/c1-3-14-9-8(13)6(5-18-2)16-10(17-9)11-15-4-7(12)19-11/h4H,3,5H2,1-2H3,(H,14,16,17)
InChIKeyWAPPJLUAJGQISU-UHFFFAOYSA-N
MW410.67 g/mol
LogP3.44
Rot. Bonds5

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

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 107125369) has the molecular formula C11H12ClIN4OS and a molecular weight of 410.67 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID107125369
Molecular FormulaC11H12ClIN4OS
Molecular Weight410.67 g/mol
Exact Mass409.95
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(Cl)s2)nc(COC)c1I
InChIInChI=1S/C11H12ClIN4OS/c1-3-14-9-8(13)6(5-18-2)16-10(17-9)11-15-4-7(12)19-11/h4H,3,5H2,1-2H3,(H,14,16,17)
InChIKeyWAPPJLUAJGQISU-UHFFFAOYSA-N
XLogP3.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.67
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66296435
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 102844049
2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 107125278
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 107125354
N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 82733244
N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66295855
[2-(5-chloro-1,3-thiazol-2-yl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 107125441
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
N-ethyl-5-iodo-2-(2-methoxybutan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116777004
N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 66303037

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (CID 107125369) is 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(-c2ncc(Cl)s2)nc(COC)c1I.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is WAPPJLUAJGQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIN4OS/c1-3-14-9-8(13)6(5-18-2)16-10(17-9)11-15-4-7(12)19-11/h4H,3,5H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 410.67 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 107125369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).