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

C13H17IN4OS — CID 66303037

IUPACN-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2nc(C)cs2)nc(COC)c1I
InChIInChI=1S/C13H17IN4OS/c1-4-15-13-12(14)9(6-19-3)17-10(18-13)5-11-16-8(2)7-20-11/h7H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyKGIRYMZULITUAY-UHFFFAOYSA-N
MW404.28 g/mol
LogP3.02
Rot. Bonds6

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

N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 66303037) has the molecular formula C13H17IN4OS and a molecular weight of 404.28 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID66303037
Molecular FormulaC13H17IN4OS
Molecular Weight404.28 g/mol
Exact Mass404.02
IUPAC NameN-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2nc(C)cs2)nc(COC)c1I
InChIInChI=1S/C13H17IN4OS/c1-4-15-13-12(14)9(6-19-3)17-10(18-13)5-11-16-8(2)7-20-11/h7H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyKGIRYMZULITUAY-UHFFFAOYSA-N
XLogP3.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 53.02
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-bromo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300767
5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
CID 66307752
5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66305130
5-iodo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300150
2-[2-(diethylamino)ethyl]-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302832
N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269268
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66296435
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
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-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 107125369
6-ethyl-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 63560948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 66303037) is N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is CCNc1nc(Cc2nc(C)cs2)nc(COC)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is KGIRYMZULITUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4OS/c1-4-15-13-12(14)9(6-19-3)17-10(18-13)5-11-16-8(2)7-20-11/h7H,4-6H2,1-3H3,(H,15,17,18).
What are the key properties of N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 404.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).