2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine

C14H24IN3 — CID 79411802

IUPAC2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCCCc1nc(NCC)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C14H24IN3/c1-6-8-9-10-17-12(14(3,4)5)11(15)13(18-10)16-7-2/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyYAFDXISWNLOKOU-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.15
Rot. Bonds5

About 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine

2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 79411802) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID79411802
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCCCc1nc(NCC)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C14H24IN3/c1-6-8-9-10-17-12(14(3,4)5)11(15)13(18-10)16-7-2/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyYAFDXISWNLOKOU-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine (CID 79411802) is 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine is CCCCc1nc(NCC)c(I)c(C(C)(C)C)n1.
What is the InChIKey of 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is YAFDXISWNLOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3/c1-6-8-9-10-17-12(14(3,4)5)11(15)13(18-10)16-7-2/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 361.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 79411802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).