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

C14H14N4S — CID 155460392

IUPACN-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sccc12)c1ccc(N)cc1
InChIInChI=1S/C14H14N4S/c1-9(10-2-4-11(15)5-3-10)18-13-12-6-7-19-14(12)17-8-16-13/h2-9H,15H2,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyNYTPJZUXQRDUQI-VIFPVBQESA-N
MW270.36 g/mol
LogP3.45
Rot. Bonds3

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

N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155460392) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155460392
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sccc12)c1ccc(N)cc1
InChIInChI=1S/C14H14N4S/c1-9(10-2-4-11(15)5-3-10)18-13-12-6-7-19-14(12)17-8-16-13/h2-9H,15H2,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyNYTPJZUXQRDUQI-VIFPVBQESA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
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-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 47984115
N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 60871189
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
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
N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460806
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686965
N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460600

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 155460392) is N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@H](Nc1ncnc2sccc12)c1ccc(N)cc1.
What is the InChIKey of N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NYTPJZUXQRDUQI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4S/c1-9(10-2-4-11(15)5-3-10)18-13-12-6-7-19-14(12)17-8-16-13/h2-9H,15H2,1H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155460392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).