4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C15H18BrN3O — CID 136974919

IUPAC4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)c2ccc(Br)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H18BrN3O/c1-9(2)15-18-13(8-14(20)19-15)17-10(3)11-4-6-12(16)7-5-11/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyKSYAAHSTJWQXQI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.83
Rot. Bonds4

About 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136974919) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136974919
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)c2ccc(Br)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H18BrN3O/c1-9(2)15-18-13(8-14(20)19-15)17-10(3)11-4-6-12(16)7-5-11/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyKSYAAHSTJWQXQI-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136974919) is 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC(C)c2ccc(Br)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KSYAAHSTJWQXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(2)15-18-13(8-14(20)19-15)17-10(3)11-4-6-12(16)7-5-11/h4-10H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 336.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).