2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine

C10H17IN4 — CID 66319039

IUPAC2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncncc1I
InChIInChI=1S/C10H17IN4/c1-7(2)3-8(4-12)15-10-9(11)5-13-6-14-10/h5-8H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyMBDONZXXYRJSHF-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.87
Rot. Bonds5

About 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine

2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine (PubChem CID 66319039) has the molecular formula C10H17IN4 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine
PubChem CID66319039
Molecular FormulaC10H17IN4
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC Name2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncncc1I
InChIInChI=1S/C10H17IN4/c1-7(2)3-8(4-12)15-10-9(11)5-13-6-14-10/h5-8H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyMBDONZXXYRJSHF-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
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 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine (CID 66319039) is 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine is CC(C)CC(CN)Nc1ncncc1I.
What is the InChIKey of 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The InChIKey is MBDONZXXYRJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4/c1-7(2)3-8(4-12)15-10-9(11)5-13-6-14-10/h5-8H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine?
2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine has a molecular weight of 320.18 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 66319039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).