4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

C14H15N5O — CID 80765124

IUPAC4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
SMILESCCNc1cc(N2CC(=O)Nc3ccccc32)ncn1
InChIInChI=1S/C14H15N5O/c1-2-15-12-7-13(17-9-16-12)19-8-14(20)18-10-5-3-4-6-11(10)19/h3-7,9H,2,8H2,1H3,(H,18,20)(H,15,16,17)
InChIKeyBWLXDPHDPGPDKV-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.00
Rot. Bonds3

About 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one (PubChem CID 80765124) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
PubChem CID80765124
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
SMILESCCNc1cc(N2CC(=O)Nc3ccccc32)ncn1
InChIInChI=1S/C14H15N5O/c1-2-15-12-7-13(17-9-16-12)19-8-14(20)18-10-5-3-4-6-11(10)19/h3-7,9H,2,8H2,1H3,(H,18,20)(H,15,16,17)
InChIKeyBWLXDPHDPGPDKV-UHFFFAOYSA-N
XLogP2.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
CID 28822354
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 80750407
4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80750261
4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80749967
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80756943
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
CID 80726419
4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
CID 83121972

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one (CID 80765124) is 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one is CCNc1cc(N2CC(=O)Nc3ccccc32)ncn1.
What is the InChIKey of 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BWLXDPHDPGPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-15-12-7-13(17-9-16-12)19-8-14(20)18-10-5-3-4-6-11(10)19/h3-7,9H,2,8H2,1H3,(H,18,20)(H,15,16,17).
What are the key properties of 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one?
4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 269.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80765124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).