(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C20H18N4OS — CID 9310948

IUPAC(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4OS/c1-13(25)11-22-19-17-15(14-7-3-2-4-8-14)12-26-20(17)24-18(23-19)16-9-5-6-10-21-16/h2-10,12-13,25H,11H2,1H3,(H,22,23,24)/t13-/m0/s1
InChIKeyRVMBOKLYWGIXJH-ZDUSSCGKSA-N
MW362.46 g/mol
LogP4.21
Rot. Bonds5

About (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 9310948) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID9310948
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4OS/c1-13(25)11-22-19-17-15(14-7-3-2-4-8-14)12-26-20(17)24-18(23-19)16-9-5-6-10-21-16/h2-10,12-13,25H,11H2,1H3,(H,22,23,24)/t13-/m0/s1
InChIKeyRVMBOKLYWGIXJH-ZDUSSCGKSA-N
XLogP4.21
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 9310948) is (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is C[C@H](O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is RVMBOKLYWGIXJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13(25)11-22-19-17-15(14-7-3-2-4-8-14)12-26-20(17)24-18(23-19)16-9-5-6-10-21-16/h2-10,12-13,25H,11H2,1H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 362.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 9310948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).