2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine

C23H23N3S — CID 10690761

IUPAC2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1
InChIInChI=1S/C23H23N3S/c1-2-3-9-21-25-20-14-15-27-22(20)23(26-21)24-16-17-10-12-19(13-11-17)18-7-5-4-6-8-18/h4-8,10-15H,2-3,9,16H2,1H3,(H,24,25,26)
InChIKeyZKAYMUOGYAYTDV-UHFFFAOYSA-N
MW373.53 g/mol
LogP6.31
Rot. Bonds7

About 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine

2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10690761) has the molecular formula C23H23N3S and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID10690761
Molecular FormulaC23H23N3S
Molecular Weight373.53 g/mol
Exact Mass373.16
IUPAC Name2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1
InChIInChI=1S/C23H23N3S/c1-2-3-9-21-25-20-14-15-27-22(20)23(26-21)24-16-17-10-12-19(13-11-17)18-7-5-4-6-8-18/h4-8,10-15H,2-3,9,16H2,1H3,(H,24,25,26)
InChIKeyZKAYMUOGYAYTDV-UHFFFAOYSA-N
XLogP6.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 10690761) is 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1.
What is the InChIKey of 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZKAYMUOGYAYTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3S/c1-2-3-9-21-25-20-14-15-27-22(20)23(26-21)24-16-17-10-12-19(13-11-17)18-7-5-4-6-8-18/h4-8,10-15H,2-3,9,16H2,1H3,(H,24,25,26).
What are the key properties of 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 373.53 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(4-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10690761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).