2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C15H18FN3O2 — CID 135612113

IUPAC2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2ccc(F)cc2)[nH]c(=O)c1CCO
InChIInChI=1S/C15H18FN3O2/c1-10-13(7-9-20)14(21)19-15(18-10)17-8-6-11-2-4-12(16)5-3-11/h2-5,20H,6-9H2,1H3,(H2,17,18,19,21)
InChIKeyCJPYCLVUIAAXJJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.41
Rot. Bonds6

About 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135612113) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135612113
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2ccc(F)cc2)[nH]c(=O)c1CCO
InChIInChI=1S/C15H18FN3O2/c1-10-13(7-9-20)14(21)19-15(18-10)17-8-6-11-2-4-12(16)5-3-11/h2-5,20H,6-9H2,1H3,(H2,17,18,19,21)
InChIKeyCJPYCLVUIAAXJJ-UHFFFAOYSA-N
XLogP1.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135612113) is 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(NCCc2ccc(F)cc2)[nH]c(=O)c1CCO.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CJPYCLVUIAAXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-13(7-9-20)14(21)19-15(18-10)17-8-6-11-2-4-12(16)5-3-11/h2-5,20H,6-9H2,1H3,(H2,17,18,19,21).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 291.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135612113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).