6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride

C8H11ClIN5O2 — CID 25170098

IUPAC6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NC1=NCCN1Cc1[nH]c(=O)[nH]c(=O)c1[125I]
InChIInChI=1S/C8H10IN5O2.ClH/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10;/h1-3H2,(H2,10,11)(H2,12,13,15,16);1H/i9-2;
InChIKeyMQWKCVYIGZKVQL-WQPAWMIVSA-N
MW369.57 g/mol
LogP-0.78
Rot. Bonds2

About 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride

6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 25170098) has the molecular formula C8H11ClIN5O2 and a molecular weight of 369.57 g/mol. Its IUPAC name is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID25170098
Molecular FormulaC8H11ClIN5O2
Molecular Weight369.57 g/mol
Exact Mass368.96
IUPAC Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NC1=NCCN1Cc1[nH]c(=O)[nH]c(=O)c1[125I]
InChIInChI=1S/C8H10IN5O2.ClH/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10;/h1-3H2,(H2,10,11)(H2,12,13,15,16);1H/i9-2;
InChIKeyMQWKCVYIGZKVQL-WQPAWMIVSA-N
XLogP-0.78
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride (CID 25170098) is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride is Cl.NC1=NCCN1Cc1[nH]c(=O)[nH]c(=O)c1[125I].
What is the InChIKey of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is MQWKCVYIGZKVQL-WQPAWMIVSA-N. The full InChI is InChI=1S/C8H10IN5O2.ClH/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10;/h1-3H2,(H2,10,11)(H2,12,13,15,16);1H/i9-2;.
What are the key properties of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride?
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 369.57 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-(125I)iodo-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 25170098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).