6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione

C12H12BrN3O2 — CID 133081959

IUPAC6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
InChIKeyXGNIAOMGYRRHNY-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.48
Rot. Bonds4

About 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione

6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione (PubChem CID 133081959) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione
PubChem CID133081959
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
InChIKeyXGNIAOMGYRRHNY-UHFFFAOYSA-N
XLogP1.48
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025749
6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
CID 308653
6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025746
3-methyl-6-[(2-phenylethyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 385872
1,3-Dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione
CID 777231
N-[(4-bromophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
CID 2526911
6-[(4-bromophenyl)methyl]-3-hydroxy-1H-pyrimidine-2,4-dione
CID 145978881
6-[(3-bromophenyl)methyl]-3-hydroxy-1H-pyrimidine-2,4-dione
CID 145991985
6-{[2-(4-Fluorophenyl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 146025747

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione (CID 133081959) is 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione is O=c1cc(NCCc2ccc(Br)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is XGNIAOMGYRRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18).
What are the key properties of 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 310.15 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)ethylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 133081959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).