4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol

C17H19N3OS — CID 11645321

IUPAC4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCCCc1cc2c(NCCc3ccc(O)cc3)ncnc2s1
InChIInChI=1S/C17H19N3OS/c1-2-3-14-10-15-16(19-11-20-17(15)22-14)18-9-8-12-4-6-13(21)7-5-12/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,18,19,20)
InChIKeyJHVQRPLYPXMOEX-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.00
Rot. Bonds6

About 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 11645321) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID11645321
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCCCc1cc2c(NCCc3ccc(O)cc3)ncnc2s1
InChIInChI=1S/C17H19N3OS/c1-2-3-14-10-15-16(19-11-20-17(15)22-14)18-9-8-12-4-6-13(21)7-5-12/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,18,19,20)
InChIKeyJHVQRPLYPXMOEX-UHFFFAOYSA-N
XLogP4.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898704
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084959

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol (CID 11645321) is 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol is CCCc1cc2c(NCCc3ccc(O)cc3)ncnc2s1.
What is the InChIKey of 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is JHVQRPLYPXMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-3-14-10-15-16(19-11-20-17(15)22-14)18-9-8-12-4-6-13(21)7-5-12/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,18,19,20).
What are the key properties of 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 313.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 11645321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).