6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine

C13H22IN3O — CID 116776707

IUPAC6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(C)(OC)c1nc(N)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C13H22IN3O/c1-7-13(5,18-6)11-16-9(12(2,3)4)8(14)10(15)17-11/h7H2,1-6H3,(H2,15,16,17)
InChIKeyNWTQZJQKGUULDQ-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.23
Rot. Bonds3

About 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine

6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 116776707) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID116776707
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(C)(OC)c1nc(N)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C13H22IN3O/c1-7-13(5,18-6)11-16-9(12(2,3)4)8(14)10(15)17-11/h7H2,1-6H3,(H2,15,16,17)
InChIKeyNWTQZJQKGUULDQ-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.23
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 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine (CID 116776707) is 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine is CCC(C)(OC)c1nc(N)c(I)c(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is NWTQZJQKGUULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-7-13(5,18-6)11-16-9(12(2,3)4)8(14)10(15)17-11/h7H2,1-6H3,(H2,15,16,17).
What are the key properties of 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-2-(2-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116776707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).