3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol

C16H17N3OS — CID 166325328

IUPAC3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1nc(N[C@@H](C)c2cccc(O)c2)c2scc(C)c2n1
InChIInChI=1S/C16H17N3OS/c1-9-8-21-15-14(9)18-11(3)19-16(15)17-10(2)12-5-4-6-13(20)7-12/h4-8,10,20H,1-3H3,(H,17,18,19)/t10-/m0/s1
InChIKeyFONXAODGWBCTLZ-JTQLQIEISA-N
MW299.40 g/mol
LogP4.19
Rot. Bonds3

About 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol

3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 166325328) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID166325328
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1nc(N[C@@H](C)c2cccc(O)c2)c2scc(C)c2n1
InChIInChI=1S/C16H17N3OS/c1-9-8-21-15-14(9)18-11(3)19-16(15)17-10(2)12-5-4-6-13(20)7-12/h4-8,10,20H,1-3H3,(H,17,18,19)/t10-/m0/s1
InChIKeyFONXAODGWBCTLZ-JTQLQIEISA-N
XLogP4.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol (CID 166325328) is 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol is Cc1nc(N[C@@H](C)c2cccc(O)c2)c2scc(C)c2n1.
What is the InChIKey of 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is FONXAODGWBCTLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9-8-21-15-14(9)18-11(3)19-16(15)17-10(2)12-5-4-6-13(20)7-12/h4-8,10,20H,1-3H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol?
3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 299.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 166325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).