6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione

C7H11IN4O2 — CID 54314079

IUPAC6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESNCCNCc1[nH]c(=O)[nH]c(=O)c1I
InChIInChI=1S/C7H11IN4O2/c8-5-4(3-10-2-1-9)11-7(14)12-6(5)13/h10H,1-3,9H2,(H2,11,12,13,14)
InChIKeySMXSISCZJFNOLT-UHFFFAOYSA-N
MW310.10 g/mol
LogP-1.28
Rot. Bonds4

About 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione

6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione (PubChem CID 54314079) has the molecular formula C7H11IN4O2 and a molecular weight of 310.10 g/mol. Its IUPAC name is 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
PubChem CID54314079
Molecular FormulaC7H11IN4O2
Molecular Weight310.10 g/mol
Exact Mass309.99
IUPAC Name6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione
SMILESNCCNCc1[nH]c(=O)[nH]c(=O)c1I
InChIInChI=1S/C7H11IN4O2/c8-5-4(3-10-2-1-9)11-7(14)12-6(5)13/h10H,1-3,9H2,(H2,11,12,13,14)
InChIKeySMXSISCZJFNOLT-UHFFFAOYSA-N
XLogP-1.28
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
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 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione (CID 54314079) is 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione is NCCNCc1[nH]c(=O)[nH]c(=O)c1I.
What is the InChIKey of 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
The InChIKey is SMXSISCZJFNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN4O2/c8-5-4(3-10-2-1-9)11-7(14)12-6(5)13/h10H,1-3,9H2,(H2,11,12,13,14).
What are the key properties of 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione?
6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione has a molecular weight of 310.10 g/mol, XLogP of -1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoethylamino)methyl]-5-iodo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54314079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).