N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C13H12FN3OS — CID 68902625

IUPACN-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cccc(F)c3)n1)S(=O)CC2
InChIInChI=1S/C13H12FN3OS/c1-8-15-11-5-6-19(18)12(11)13(16-8)17-10-4-2-3-9(14)7-10/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyFVUGXHMLTLQMCJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.33
Rot. Bonds2

About N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 68902625) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID68902625
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC NameN-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cccc(F)c3)n1)S(=O)CC2
InChIInChI=1S/C13H12FN3OS/c1-8-15-11-5-6-19(18)12(11)13(16-8)17-10-4-2-3-9(14)7-10/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyFVUGXHMLTLQMCJ-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 68902625) is N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1nc2c(c(Nc3cccc(F)c3)n1)S(=O)CC2.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FVUGXHMLTLQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-8-15-11-5-6-19(18)12(11)13(16-8)17-10-4-2-3-9(14)7-10/h2-4,7H,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 277.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 68902625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).