5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C9H7BrF3N5O2 — CID 47002013

IUPAC5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)NC(Nc2ncc(Br)cn2)(C(F)(F)F)C1=O
InChIInChI=1S/C9H7BrF3N5O2/c1-18-5(19)8(9(11,12)13,17-7(18)20)16-6-14-2-4(10)3-15-6/h2-3H,1H3,(H,17,20)(H,14,15,16)
InChIKeyHKXVVRBHBDIJAH-UHFFFAOYSA-N
MW354.09 g/mol
LogP1.09
Rot. Bonds2

About 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 47002013) has the molecular formula C9H7BrF3N5O2 and a molecular weight of 354.09 g/mol. Its IUPAC name is 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID47002013
Molecular FormulaC9H7BrF3N5O2
Molecular Weight354.09 g/mol
Exact Mass352.97
IUPAC Name5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)NC(Nc2ncc(Br)cn2)(C(F)(F)F)C1=O
InChIInChI=1S/C9H7BrF3N5O2/c1-18-5(19)8(9(11,12)13,17-7(18)20)16-6-14-2-4(10)3-15-6/h2-3H,1H3,(H,17,20)(H,14,15,16)
InChIKeyHKXVVRBHBDIJAH-UHFFFAOYSA-N
XLogP1.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 47002013) is 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CN1C(=O)NC(Nc2ncc(Br)cn2)(C(F)(F)F)C1=O.
What is the InChIKey of 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is HKXVVRBHBDIJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N5O2/c1-18-5(19)8(9(11,12)13,17-7(18)20)16-6-14-2-4(10)3-15-6/h2-3H,1H3,(H,17,20)(H,14,15,16).
What are the key properties of 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 354.09 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47002013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).