N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C15H15N3S — CID 155460692

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc([C@H](C)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C15H15N3S/c1-10-3-5-12(6-4-10)11(2)18-14-13-7-8-19-15(13)17-9-16-14/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyQXKRMOKNXNGVST-NSHDSACASA-N
MW269.37 g/mol
LogP4.17
Rot. Bonds3

About N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155460692) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155460692
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc([C@H](C)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C15H15N3S/c1-10-3-5-12(6-4-10)11(2)18-14-13-7-8-19-15(13)17-9-16-14/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyQXKRMOKNXNGVST-NSHDSACASA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9196052
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 47984115
N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460806
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155571464
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460600
sodium;N-[1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-(4-iodophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine;N-methylbutan-1-amine;iodide
CID 167656146
7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686398

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 155460692) is N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc([C@H](C)Nc2ncnc3sccc23)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QXKRMOKNXNGVST-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-3-5-12(6-4-10)11(2)18-14-13-7-8-19-15(13)17-9-16-14/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155460692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).