2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one

C5H3F3IN3O — CID 135480621

IUPAC2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)c(I)c(=O)[nH]1
InChIInChI=1S/C5H3F3IN3O/c6-5(7,8)2-1(9)3(13)12-4(10)11-2/h(H3,10,11,12,13)
InChIKeyQSKXNZXDPHOVRN-UHFFFAOYSA-N
MW305.00 g/mol
LogP0.98
Rot. Bonds

About 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135480621) has the molecular formula C5H3F3IN3O and a molecular weight of 305.00 g/mol. Its IUPAC name is 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135480621
Molecular FormulaC5H3F3IN3O
Molecular Weight305.00 g/mol
Exact Mass304.93
IUPAC Name2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)c(I)c(=O)[nH]1
InChIInChI=1S/C5H3F3IN3O/c6-5(7,8)2-1(9)3(13)12-4(10)11-2/h(H3,10,11,12,13)
InChIKeyQSKXNZXDPHOVRN-UHFFFAOYSA-N
XLogP0.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135480621) is 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one is Nc1nc(C(F)(F)F)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QSKXNZXDPHOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3IN3O/c6-5(7,8)2-1(9)3(13)12-4(10)11-2/h(H3,10,11,12,13).
What are the key properties of 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 305.00 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).