2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C20H17FN4S — CID 15757809

IUPAC2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(Nc2ccccc2C)c2sccc2n1
InChIInChI=1S/C20H17FN4S/c1-12-5-3-4-6-15(12)22-19-18-17(9-10-26-18)24-20(25-19)23-16-8-7-14(21)11-13(16)2/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyADOLMOMVBOJIOV-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.93
Rot. Bonds4

About 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 15757809) has the molecular formula C20H17FN4S and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID15757809
Molecular FormulaC20H17FN4S
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(Nc2ccccc2C)c2sccc2n1
InChIInChI=1S/C20H17FN4S/c1-12-5-3-4-6-15(12)22-19-18-17(9-10-26-18)24-20(25-19)23-16-8-7-14(21)11-13(16)2/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyADOLMOMVBOJIOV-UHFFFAOYSA-N
XLogP5.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 15757809) is 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(F)ccc1Nc1nc(Nc2ccccc2C)c2sccc2n1.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is ADOLMOMVBOJIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4S/c1-12-5-3-4-6-15(12)22-19-18-17(9-10-26-18)24-20(25-19)23-16-8-7-14(21)11-13(16)2/h3-11H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15757809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).