4-N-butyl-5-iodopyrimidine-2,4-diamine

C8H13IN4 — CID 135271026

IUPAC4-N-butyl-5-iodopyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1I
InChIInChI=1S/C8H13IN4/c1-2-3-4-11-7-6(9)5-12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyQMWSJIXUUPBLRP-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.88
Rot. Bonds4

About 4-N-butyl-5-iodopyrimidine-2,4-diamine

4-N-butyl-5-iodopyrimidine-2,4-diamine (PubChem CID 135271026) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-N-butyl-5-iodopyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-iodopyrimidine-2,4-diamine
PubChem CID135271026
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC Name4-N-butyl-5-iodopyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1I
InChIInChI=1S/C8H13IN4/c1-2-3-4-11-7-6(9)5-12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyQMWSJIXUUPBLRP-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-iodopyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-iodopyrimidine-2,4-diamine (CID 135271026) is 4-N-butyl-5-iodopyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-iodopyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-iodopyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1I.
What is the InChIKey of 4-N-butyl-5-iodopyrimidine-2,4-diamine?
The InChIKey is QMWSJIXUUPBLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c1-2-3-4-11-7-6(9)5-12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-N-butyl-5-iodopyrimidine-2,4-diamine?
4-N-butyl-5-iodopyrimidine-2,4-diamine has a molecular weight of 292.12 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-iodopyrimidine-2,4-diamine is sourced from PubChem (CID 135271026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).