6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine

C20H17N3S — CID 18382769

IUPAC6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2cc(-c3ccccc3)sc12)c1ccccc1
InChIInChI=1S/C20H17N3S/c1-14(15-8-4-2-5-9-15)23-20-19-17(21-13-22-20)12-18(24-19)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22,23)
InChIKeyWQIMCPHFUBBUGS-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.53
Rot. Bonds4

About 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine

6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382769) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382769
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2cc(-c3ccccc3)sc12)c1ccccc1
InChIInChI=1S/C20H17N3S/c1-14(15-8-4-2-5-9-15)23-20-19-17(21-13-22-20)12-18(24-19)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22,23)
InChIKeyWQIMCPHFUBBUGS-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 97001140
(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 148887710
4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 25164407
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 87057014
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127026467
(2S)-2-[[6-[6-[2-(methylamino)ethylamino]-3-pyridinyl]thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 153028508
6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 25165203
6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382918
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
3-chloro-4-phenyl-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 11795657
2-hydroxy-1-[4-[[4-[4-[(2-methoxy-1-phenylethyl)amino]thieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]propan-1-one
CID 175021428

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine (CID 18382769) is 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine is CC(Nc1ncnc2cc(-c3ccccc3)sc12)c1ccccc1.
What is the InChIKey of 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WQIMCPHFUBBUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-14(15-8-4-2-5-9-15)23-20-19-17(21-13-22-20)12-18(24-19)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22,23).
What are the key properties of 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).