5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

C17H16N6S — CID 95266346

IUPAC5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Cn1cncn1)Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H16N6S/c1-12(7-23-11-18-9-21-23)22-16-15-14(13-5-3-2-4-6-13)8-24-17(15)20-10-19-16/h2-6,8-12H,7H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyJOCPKJFXOJZWKA-GFCCVEGCSA-N
MW336.42 g/mol
LogP3.45
Rot. Bonds5

About 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 95266346) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID95266346
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Cn1cncn1)Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H16N6S/c1-12(7-23-11-18-9-21-23)22-16-15-14(13-5-3-2-4-6-13)8-24-17(15)20-10-19-16/h2-6,8-12H,7H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyJOCPKJFXOJZWKA-GFCCVEGCSA-N
XLogP3.45
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 98291934
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 97317316
3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 82022252
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 95266346) is 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is C[C@H](Cn1cncn1)Nc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JOCPKJFXOJZWKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N6S/c1-12(7-23-11-18-9-21-23)22-16-15-14(13-5-3-2-4-6-13)8-24-17(15)20-10-19-16/h2-6,8-12H,7H2,1H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95266346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).