(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol

C14H12ClN3OS — CID 97158832

IUPAC(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
SMILESOC[C@H](Nc1ncnc2sccc12)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3OS/c15-10-3-1-9(2-4-10)12(7-19)18-13-11-5-6-20-14(11)17-8-16-13/h1-6,8,12,19H,7H2,(H,16,17,18)/t12-/m0/s1
InChIKeyWURLJXDJBBTBFT-LBPRGKRZSA-N
MW305.79 g/mol
LogP3.49
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol

(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (PubChem CID 97158832) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
PubChem CID97158832
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
SMILESOC[C@H](Nc1ncnc2sccc12)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3OS/c15-10-3-1-9(2-4-10)12(7-19)18-13-11-5-6-20-14(11)17-8-16-13/h1-6,8,12,19H,7H2,(H,16,17,18)/t12-/m0/s1
InChIKeyWURLJXDJBBTBFT-LBPRGKRZSA-N
XLogP3.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (CID 97158832) is (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol is OC[C@H](Nc1ncnc2sccc12)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
The InChIKey is WURLJXDJBBTBFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-10-3-1-9(2-4-10)12(7-19)18-13-11-5-6-20-14(11)17-8-16-13/h1-6,8,12,19H,7H2,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol?
(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol has a molecular weight of 305.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol is sourced from PubChem (CID 97158832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).