6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C14H15FN4O — CID 118742649

IUPAC6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)CC(Nc1ncc(F)cn1)CC2
InChIInChI=1S/C14H15FN4O/c1-19-12-4-3-11(6-9(12)2-5-13(19)20)18-14-16-7-10(15)8-17-14/h2,5,7-8,11H,3-4,6H2,1H3,(H,16,17,18)
InChIKeyGGTLPTFEAWLFRT-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.28
Rot. Bonds2

About 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118742649) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118742649
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)CC(Nc1ncc(F)cn1)CC2
InChIInChI=1S/C14H15FN4O/c1-19-12-4-3-11(6-9(12)2-5-13(19)20)18-14-16-7-10(15)8-17-14/h2,5,7-8,11H,3-4,6H2,1H3,(H,16,17,18)
InChIKeyGGTLPTFEAWLFRT-UHFFFAOYSA-N
XLogP1.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 118742649) is 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(ccc1=O)CC(Nc1ncc(F)cn1)CC2.
What is the InChIKey of 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GGTLPTFEAWLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19-12-4-3-11(6-9(12)2-5-13(19)20)18-14-16-7-10(15)8-17-14/h2,5,7-8,11H,3-4,6H2,1H3,(H,16,17,18).
What are the key properties of 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118742649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).