(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol

C20H20N6OS — CID 68936759

IUPAC(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cscc2n1)c1ccccc1
InChIInChI=1S/C20H20N6OS/c27-9-16(12-4-2-1-3-5-12)21-20-22-17-11-28-10-14(17)19(24-20)23-18-8-15(25-26-18)13-6-7-13/h1-5,8,10-11,13,16,27H,6-7,9H2,(H3,21,22,23,24,25,26)/t16-/m0/s1
InChIKeyOCUXMYZUMMDFES-INIZCTEOSA-N
MW392.49 g/mol
LogP4.18
Rot. Bonds7

About (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol

(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol (PubChem CID 68936759) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
PubChem CID68936759
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cscc2n1)c1ccccc1
InChIInChI=1S/C20H20N6OS/c27-9-16(12-4-2-1-3-5-12)21-20-22-17-11-28-10-14(17)19(24-20)23-18-8-15(25-26-18)13-6-7-13/h1-5,8,10-11,13,16,27H,6-7,9H2,(H3,21,22,23,24,25,26)/t16-/m0/s1
InChIKeyOCUXMYZUMMDFES-INIZCTEOSA-N
XLogP4.18
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900059
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]amino]propan-1-ol
CID 68901137
N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine
CID 173150514
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 10109287
2-N-(cyclopropylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 70693804
(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67456086
2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-thiophen-2-ylethanol
CID 68898848
7-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
CID 68898803
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 68602988
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
CID 177020193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol (CID 68936759) is (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol is OC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cscc2n1)c1ccccc1.
What is the InChIKey of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol?
The InChIKey is OCUXMYZUMMDFES-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N6OS/c27-9-16(12-4-2-1-3-5-12)21-20-22-17-11-28-10-14(17)19(24-20)23-18-8-15(25-26-18)13-6-7-13/h1-5,8,10-11,13,16,27H,6-7,9H2,(H3,21,22,23,24,25,26)/t16-/m0/s1.
What are the key properties of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol?
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol has a molecular weight of 392.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 68936759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).