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

C16H16ClN3OS — CID 82066376

IUPAC4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCCc1cc2c(NCCc3ccc(O)cc3)nc(Cl)nc2s1
InChIInChI=1S/C16H16ClN3OS/c1-2-12-9-13-14(19-16(17)20-15(13)22-12)18-8-7-10-3-5-11(21)6-4-10/h3-6,9,21H,2,7-8H2,1H3,(H,18,19,20)
InChIKeyIHHILTSMOOYKLP-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.27
Rot. Bonds5

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

4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 82066376) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID82066376
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC Name4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCCc1cc2c(NCCc3ccc(O)cc3)nc(Cl)nc2s1
InChIInChI=1S/C16H16ClN3OS/c1-2-12-9-13-14(19-16(17)20-15(13)22-12)18-8-7-10-3-5-11(21)6-4-10/h3-6,9,21H,2,7-8H2,1H3,(H,18,19,20)
InChIKeyIHHILTSMOOYKLP-UHFFFAOYSA-N
XLogP4.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 93214217
2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106405530
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 93214032
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 18460510
4-[2-[(6-propylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 11645321
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 103320685
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol (CID 82066376) is 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol is CCc1cc2c(NCCc3ccc(O)cc3)nc(Cl)nc2s1.
What is the InChIKey of 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is IHHILTSMOOYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-2-12-9-13-14(19-16(17)20-15(13)22-12)18-8-7-10-3-5-11(21)6-4-10/h3-6,9,21H,2,7-8H2,1H3,(H,18,19,20).
What are the key properties of 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 333.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 82066376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).