4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

C14H14FN5O — CID 80749967

IUPAC4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
SMILESCCNc1ncc(F)c(N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C14H14FN5O/c1-2-16-14-17-7-9(15)13(19-14)20-8-12(21)18-10-5-3-4-6-11(10)20/h3-7H,2,8H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyGUGDUMDKFYNNFO-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.14
Rot. Bonds3

About 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one (PubChem CID 80749967) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
PubChem CID80749967
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
SMILESCCNc1ncc(F)c(N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C14H14FN5O/c1-2-16-14-17-7-9(15)13(19-14)20-8-12(21)18-10-5-3-4-6-11(10)20/h3-7H,2,8H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyGUGDUMDKFYNNFO-UHFFFAOYSA-N
XLogP2.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 80851307
4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80765124
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 80750407
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855498
4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 79076681
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80812706
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 136970720
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one (CID 80749967) is 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one is CCNc1ncc(F)c(N2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is GUGDUMDKFYNNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-2-16-14-17-7-9(15)13(19-14)20-8-12(21)18-10-5-3-4-6-11(10)20/h3-7H,2,8H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 287.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80749967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).