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

C20H17N3S — CID 71097005

IUPAC4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCc1nc(NCc2cccc(-c3ccccc3)c2)nc2ccsc12
InChIInChI=1S/C20H17N3S/c1-14-19-18(10-11-24-19)23-20(22-14)21-13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyRBQJSGUXAYJZKA-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.28
Rot. Bonds4

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

4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 71097005) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID71097005
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCc1nc(NCc2cccc(-c3ccccc3)c2)nc2ccsc12
InChIInChI=1S/C20H17N3S/c1-14-19-18(10-11-24-19)23-20(22-14)21-13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyRBQJSGUXAYJZKA-UHFFFAOYSA-N
XLogP5.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine (CID 71097005) is 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine is Cc1nc(NCc2cccc(-c3ccccc3)c2)nc2ccsc12.
What is the InChIKey of 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is RBQJSGUXAYJZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-14-19-18(10-11-24-19)23-20(22-14)21-13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12H,13H2,1H3,(H,21,22,23).
What are the key properties of 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine?
4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 331.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 71097005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).