6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine

C12H20IN3S — CID 66305036

IUPAC6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCC(C)SCc1nc(N)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C12H20IN3S/c1-7(2)17-6-8-15-10(12(3,4)5)9(13)11(14)16-8/h7H,6H2,1-5H3,(H2,14,15,16)
InChIKeyLAZFEIOVYCDRTR-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.60
Rot. Bonds3

About 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine

6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66305036) has the molecular formula C12H20IN3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66305036
Molecular FormulaC12H20IN3S
Molecular Weight365.28 g/mol
Exact Mass365.04
IUPAC Name6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCC(C)SCc1nc(N)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C12H20IN3S/c1-7(2)17-6-8-15-10(12(3,4)5)9(13)11(14)16-8/h7H,6H2,1-5H3,(H2,14,15,16)
InChIKeyLAZFEIOVYCDRTR-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.60
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-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine (CID 66305036) is 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine is CC(C)SCc1nc(N)c(I)c(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is LAZFEIOVYCDRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3S/c1-7(2)17-6-8-15-10(12(3,4)5)9(13)11(14)16-8/h7H,6H2,1-5H3,(H2,14,15,16).
What are the key properties of 6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 365.28 g/mol, XLogP of 3.60, 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-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66305036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).