N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine

C10H17IN4 — CID 66319328

IUPACN'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)c1ncncc1I
InChIInChI=1S/C10H17IN4/c1-2-3-5-15(6-4-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyCGARDOGJQYPWLN-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.65
Rot. Bonds6

About N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine

N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66319328) has the molecular formula C10H17IN4 and a molecular weight of 320.18 g/mol. Its IUPAC name is N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66319328
Molecular FormulaC10H17IN4
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC NameN'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)c1ncncc1I
InChIInChI=1S/C10H17IN4/c1-2-3-5-15(6-4-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyCGARDOGJQYPWLN-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.65
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 N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine (CID 66319328) is N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine is CCCCN(CCN)c1ncncc1I.
What is the InChIKey of N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is CGARDOGJQYPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4/c1-2-3-5-15(6-4-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3.
What are the key properties of N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 320.18 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66319328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).