2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol

C16H17N3OS — CID 46986489

IUPAC2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
SMILESCc1nc(NCCCc2ccccc2O)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-11-18-15(13-8-10-21-16(13)19-11)17-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10,20H,4,6,9H2,1H3,(H,17,18,19)
InChIKeyDYSRADVFGBGXLP-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.75
Rot. Bonds5

About 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol

2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol (PubChem CID 46986489) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
PubChem CID46986489
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
SMILESCc1nc(NCCCc2ccccc2O)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-11-18-15(13-8-10-21-16(13)19-11)17-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10,20H,4,6,9H2,1H3,(H,17,18,19)
InChIKeyDYSRADVFGBGXLP-UHFFFAOYSA-N
XLogP3.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46991915
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72938446
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72918328
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103332450
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 137431954
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321473
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol?
The IUPAC name of 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol (CID 46986489) is 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol.
What is the SMILES notation for 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol?
The canonical SMILES for 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol is Cc1nc(NCCCc2ccccc2O)c2ccsc2n1.
What is the InChIKey of 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol?
The InChIKey is DYSRADVFGBGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-18-15(13-8-10-21-16(13)19-11)17-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10,20H,4,6,9H2,1H3,(H,17,18,19).
What are the key properties of 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol?
2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol has a molecular weight of 299.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol is sourced from PubChem (CID 46986489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).