2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14FN3S — CID 61025722

IUPAC2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3F)nc(N)c2c1C
InChIInChI=1S/C15H14FN3S/c1-8-9(2)20-15-13(8)14(17)18-12(19-15)7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H2,17,18,19)
InChIKeyKVFCAPVRZXELKO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.62
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 61025722) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID61025722
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3F)nc(N)c2c1C
InChIInChI=1S/C15H14FN3S/c1-8-9(2)20-15-13(8)14(17)18-12(19-15)7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H2,17,18,19)
InChIKeyKVFCAPVRZXELKO-UHFFFAOYSA-N
XLogP3.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
5,6-dimethyl-2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025252
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 61026249
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614703
2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 79713337
5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17428582
5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
CID 43502532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 61025722) is 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cc3ccccc3F)nc(N)c2c1C.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KVFCAPVRZXELKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-8-9(2)20-15-13(8)14(17)18-12(19-15)7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 61025722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).