(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone

C20H14FN3OS — CID 2810737

IUPAC(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone
SMILESCc1nc(-c2ccccc2)nc2sc(C(=O)c3ccc(F)cc3)c(N)c12
InChIInChI=1S/C20H14FN3OS/c1-11-15-16(22)18(17(25)12-7-9-14(21)10-8-12)26-20(15)24-19(23-11)13-5-3-2-4-6-13/h2-10H,22H2,1H3
InChIKeyZJUMQHPHVQSQIT-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.62
Rot. Bonds3

About (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone

(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone (PubChem CID 2810737) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone
PubChem CID2810737
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC Name(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone
SMILESCc1nc(-c2ccccc2)nc2sc(C(=O)c3ccc(F)cc3)c(N)c12
InChIInChI=1S/C20H14FN3OS/c1-11-15-16(22)18(17(25)12-7-9-14(21)10-8-12)26-20(15)24-19(23-11)13-5-3-2-4-6-13/h2-10H,22H2,1H3
InChIKeyZJUMQHPHVQSQIT-UHFFFAOYSA-N
XLogP4.62
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone (CID 2810737) is (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone is Cc1nc(-c2ccccc2)nc2sc(C(=O)c3ccc(F)cc3)c(N)c12.
What is the InChIKey of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone?
The InChIKey is ZJUMQHPHVQSQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c1-11-15-16(22)18(17(25)12-7-9-14(21)10-8-12)26-20(15)24-19(23-11)13-5-3-2-4-6-13/h2-10H,22H2,1H3.
What are the key properties of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone?
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone has a molecular weight of 363.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 2810737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).