6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione

C10H13IN6O4 — CID 174242964

IUPAC6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(I)c1=O.Cn1c(=O)cc(N)[nH]c1=O
InChIInChI=1S/C5H6IN3O2.C5H7N3O2/c1-9-4(10)2(6)3(7)8-5(9)11;1-8-4(9)2-3(6)7-5(8)10/h7H2,1H3,(H,8,11);2H,6H2,1H3,(H,7,10)
InChIKeyCPABPCQFPKXMGQ-UHFFFAOYSA-N
MW408.16 g/mol
LogP-2.08
Rot. Bonds

About 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione

6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 174242964) has the molecular formula C10H13IN6O4 and a molecular weight of 408.16 g/mol. Its IUPAC name is 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID174242964
Molecular FormulaC10H13IN6O4
Molecular Weight408.16 g/mol
Exact Mass408.00
IUPAC Name6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(I)c1=O.Cn1c(=O)cc(N)[nH]c1=O
InChIInChI=1S/C5H6IN3O2.C5H7N3O2/c1-9-4(10)2(6)3(7)8-5(9)11;1-8-4(9)2-3(6)7-5(8)10/h7H2,1H3,(H,8,11);2H,6H2,1H3,(H,7,10)
InChIKeyCPABPCQFPKXMGQ-UHFFFAOYSA-N
XLogP-2.08
TPSA161.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione (CID 174242964) is 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N)c(I)c1=O.Cn1c(=O)cc(N)[nH]c1=O.
What is the InChIKey of 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is CPABPCQFPKXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O2.C5H7N3O2/c1-9-4(10)2(6)3(7)8-5(9)11;1-8-4(9)2-3(6)7-5(8)10/h7H2,1H3,(H,8,11);2H,6H2,1H3,(H,7,10).
What are the key properties of 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione?
6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 408.16 g/mol, XLogP of -2.08, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174242964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).