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

C11H13IN4OS — CID 66301993

IUPAC5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(Cc2csc(C)n2)nc(N)c1I
InChIInChI=1S/C11H13IN4OS/c1-6-14-7(5-18-6)3-9-15-8(4-17-2)10(12)11(13)16-9/h5H,3-4H2,1-2H3,(H2,13,15,16)
InChIKeyNACWLKQTMFSNGB-UHFFFAOYSA-N
MW376.22 g/mol
LogP2.17
Rot. Bonds4

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

5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66301993) has the molecular formula C11H13IN4OS and a molecular weight of 376.22 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID66301993
Molecular FormulaC11H13IN4OS
Molecular Weight376.22 g/mol
Exact Mass375.99
IUPAC Name5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(Cc2csc(C)n2)nc(N)c1I
InChIInChI=1S/C11H13IN4OS/c1-6-14-7(5-18-6)3-9-15-8(4-17-2)10(12)11(13)16-9/h5H,3-4H2,1-2H3,(H2,13,15,16)
InChIKeyNACWLKQTMFSNGB-UHFFFAOYSA-N
XLogP2.17
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 66301993) is 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is COCc1nc(Cc2csc(C)n2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is NACWLKQTMFSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4OS/c1-6-14-7(5-18-6)3-9-15-8(4-17-2)10(12)11(13)16-9/h5H,3-4H2,1-2H3,(H2,13,15,16).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 376.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66301993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).