(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol

C16H17N3OS — CID 28849500

IUPAC(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H17N3OS/c1-2-12(9-20)19-15-13-8-14(11-6-4-3-5-7-11)21-16(13)18-10-17-15/h3-8,10,12,20H,2,9H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyLXBQVSXRDIXZRQ-LBPRGKRZSA-N
MW299.40 g/mol
LogP3.54
Rot. Bonds5

About (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol

(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 28849500) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID28849500
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H17N3OS/c1-2-12(9-20)19-15-13-8-14(11-6-4-3-5-7-11)21-16(13)18-10-17-15/h3-8,10,12,20H,2,9H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyLXBQVSXRDIXZRQ-LBPRGKRZSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[(6-iodothieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 125421599
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 176515272
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 47081244
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol (CID 28849500) is (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol is CC[C@@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is LXBQVSXRDIXZRQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-12(9-20)19-15-13-8-14(11-6-4-3-5-7-11)21-16(13)18-10-17-15/h3-8,10,12,20H,2,9H2,1H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 299.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 28849500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).