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

C28H25N3S — CID 139208747

IUPACN-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1
InChIInChI=1S/C28H25N3S/c1-19(2)23-10-6-7-11-24(23)27-30-25-16-17-32-26(25)28(31-27)29-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,29,30,31)
InChIKeyWOXKWXOOAZXVAJ-UHFFFAOYSA-N
MW435.60 g/mol
LogP7.76
Rot. Bonds6

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

N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 139208747) has the molecular formula C28H25N3S and a molecular weight of 435.60 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID139208747
Molecular FormulaC28H25N3S
Molecular Weight435.60 g/mol
Exact Mass435.18
IUPAC NameN-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1
InChIInChI=1S/C28H25N3S/c1-19(2)23-10-6-7-11-24(23)27-30-25-16-17-32-26(25)28(31-27)29-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,29,30,31)
InChIKeyWOXKWXOOAZXVAJ-UHFFFAOYSA-N
XLogP7.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.60
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 139208747) is N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine is CC(C)c1ccccc1-c1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WOXKWXOOAZXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3S/c1-19(2)23-10-6-7-11-24(23)27-30-25-16-17-32-26(25)28(31-27)29-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-17,19H,18H2,1-2H3,(H,29,30,31).
What are the key properties of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine?
N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 435.60 g/mol, XLogP of 7.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 139208747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).