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

C12H12ClN3O2 — CID 146025748

IUPAC6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2ccc(Cl)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H12ClN3O2/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)
InChIKeyJSUODDTVALGQAK-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.37
Rot. Bonds4

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

6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione (PubChem CID 146025748) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
PubChem CID146025748
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2ccc(Cl)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H12ClN3O2/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)
InChIKeyJSUODDTVALGQAK-UHFFFAOYSA-N
XLogP1.37
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(nonylamino)-1H-pyrimidine-2,4-dione
CID 146025741
6-[(4-chlorophenyl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 2743507
3-(4-chloroanilino)-4-[2-(4-fluorophenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 170609356
6-(bromoamino)-1H-pyrimidine-2,4-dione
CID 129114868
3-[2-(4-chlorophenyl)ethylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136683773
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573453
4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one
CID 68839140
4-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)pyrimidine-2,4-diamine
CID 90189428
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
1-[2-[2-(4-chlorophenyl)ethylamino]-1H-imidazol-5-yl]ethanone
CID 71319803
3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione
CID 166342350
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
CID 80899206

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione (CID 146025748) is 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione is O=c1cc(NCCc2ccc(Cl)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is JSUODDTVALGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/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-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 265.70 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).