(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol

C19H19N5O2S — CID 97318496

IUPAC(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1ccc(-c2csc3ncnc(NC[C@H](O)c4cnn(C)c4)c23)cc1
InChIInChI=1S/C19H19N5O2S/c1-24-9-13(7-23-24)16(25)8-20-18-17-15(10-27-19(17)22-11-21-18)12-3-5-14(26-2)6-4-12/h3-7,9-11,16,25H,8H2,1-2H3,(H,20,21,22)/t16-/m0/s1
InChIKeyOEHXEOMBDPLPHU-INIZCTEOSA-N
MW381.46 g/mol
LogP3.25
Rot. Bonds6

About (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol

(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 97318496) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID97318496
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1ccc(-c2csc3ncnc(NC[C@H](O)c4cnn(C)c4)c23)cc1
InChIInChI=1S/C19H19N5O2S/c1-24-9-13(7-23-24)16(25)8-20-18-17-15(10-27-19(17)22-11-21-18)12-3-5-14(26-2)6-4-12/h3-7,9-11,16,25H,8H2,1-2H3,(H,20,21,22)/t16-/m0/s1
InChIKeyOEHXEOMBDPLPHU-INIZCTEOSA-N
XLogP3.25
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 97317316
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
1-(3-fluorophenyl)-N'-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 166186008
N-[3-methoxy-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 166381316
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
(1S)-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(4-nitrophenyl)ethanol
CID 9280965
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
4-chloro-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011514
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21009753

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol (CID 97318496) is (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol is COc1ccc(-c2csc3ncnc(NC[C@H](O)c4cnn(C)c4)c23)cc1.
What is the InChIKey of (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is OEHXEOMBDPLPHU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-24-9-13(7-23-24)16(25)8-20-18-17-15(10-27-19(17)22-11-21-18)12-3-5-14(26-2)6-4-12/h3-7,9-11,16,25H,8H2,1-2H3,(H,20,21,22)/t16-/m0/s1.
What are the key properties of (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 381.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 97318496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).