2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine

C16H20IN3O — CID 116776455

IUPAC2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(N)c(I)c(-c2ccccc2)n1
InChIInChI=1S/C16H20IN3O/c1-4-16(3,21-5-2)15-19-13(12(17)14(18)20-15)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyYFAULCFUDKOMTM-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine

2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine (PubChem CID 116776455) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
PubChem CID116776455
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC Name2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(N)c(I)c(-c2ccccc2)n1
InChIInChI=1S/C16H20IN3O/c1-4-16(3,21-5-2)15-19-13(12(17)14(18)20-15)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyYFAULCFUDKOMTM-UHFFFAOYSA-N
XLogP3.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine (CID 116776455) is 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine is CCOC(C)(CC)c1nc(N)c(I)c(-c2ccccc2)n1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
The InChIKey is YFAULCFUDKOMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-4-16(3,21-5-2)15-19-13(12(17)14(18)20-15)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-5-iodo-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 116776455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).