4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine

C9H15IN4O — CID 135271025

IUPAC4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(OC)c1I
InChIInChI=1S/C9H15IN4O/c1-3-4-5-12-7-6(10)8(15-2)14-9(11)13-7/h3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyGLILNGCEUHCDGS-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.88
Rot. Bonds5

About 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine

4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine (PubChem CID 135271025) has the molecular formula C9H15IN4O and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine
PubChem CID135271025
Molecular FormulaC9H15IN4O
Molecular Weight322.15 g/mol
Exact Mass322.03
IUPAC Name4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(OC)c1I
InChIInChI=1S/C9H15IN4O/c1-3-4-5-12-7-6(10)8(15-2)14-9(11)13-7/h3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyGLILNGCEUHCDGS-UHFFFAOYSA-N
XLogP1.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine (CID 135271025) is 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine is CCCCNc1nc(N)nc(OC)c1I.
What is the InChIKey of 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine?
The InChIKey is GLILNGCEUHCDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4O/c1-3-4-5-12-7-6(10)8(15-2)14-9(11)13-7/h3-5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine?
4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine has a molecular weight of 322.15 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 135271025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).