5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one

C10H12F3IN2O3 — CID 136842466

IUPAC5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCc1nc(CCOCC(F)(F)F)[nH]c(=O)c1I
InChIInChI=1S/C10H12F3IN2O3/c1-18-4-6-8(14)9(17)16-7(15-6)2-3-19-5-10(11,12)13/h2-5H2,1H3,(H,15,16,17)
InChIKeyPDVPZSOOEWFSBR-UHFFFAOYSA-N
MW392.12 g/mol
LogP1.64
Rot. Bonds6

About 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one

5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 136842466) has the molecular formula C10H12F3IN2O3 and a molecular weight of 392.12 g/mol. Its IUPAC name is 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID136842466
Molecular FormulaC10H12F3IN2O3
Molecular Weight392.12 g/mol
Exact Mass391.98
IUPAC Name5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCc1nc(CCOCC(F)(F)F)[nH]c(=O)c1I
InChIInChI=1S/C10H12F3IN2O3/c1-18-4-6-8(14)9(17)16-7(15-6)2-3-19-5-10(11,12)13/h2-5H2,1H3,(H,15,16,17)
InChIKeyPDVPZSOOEWFSBR-UHFFFAOYSA-N
XLogP1.64
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Cyclopropyl-5-iodo-6-(methoxymethyl)-3,4-dihydropyrimidin-4-one
CID 136256641
5-iodo-2,4-bis(methoxymethyl)-1H-pyrimidin-6-one
CID 136256814
4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136035624
5-bromo-4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136225090
5-iodo-4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136256642
5-bromo-4-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288763
5-iodo-4-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288764
4-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288767
2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136842435
4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842436
2-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136842444
5-fluoro-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842445

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one (CID 136842466) is 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one is COCc1nc(CCOCC(F)(F)F)[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is PDVPZSOOEWFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3IN2O3/c1-18-4-6-8(14)9(17)16-7(15-6)2-3-19-5-10(11,12)13/h2-5H2,1H3,(H,15,16,17).
What are the key properties of 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 392.12 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136842466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).