(1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol

C23H24N6OS — CID 118893266

IUPAC(1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
SMILESO[C@@H](CNc1cc(-c2nc(NC3CCNC3)c3sccc3n2)ccn1)c1ccccc1
InChIInChI=1S/C23H24N6OS/c30-19(15-4-2-1-3-5-15)14-26-20-12-16(6-10-25-20)22-28-18-8-11-31-21(18)23(29-22)27-17-7-9-24-13-17/h1-6,8,10-12,17,19,24,30H,7,9,13-14H2,(H,25,26)(H,27,28,29)/t17?,19-/m0/s1
InChIKeyOCGADBCHKGCNJO-NNBQYGFHSA-N
MW432.55 g/mol
LogP3.67
Rot. Bonds7

About (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol

(1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol (PubChem CID 118893266) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
PubChem CID118893266
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name(1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
SMILESO[C@@H](CNc1cc(-c2nc(NC3CCNC3)c3sccc3n2)ccn1)c1ccccc1
InChIInChI=1S/C23H24N6OS/c30-19(15-4-2-1-3-5-15)14-26-20-12-16(6-10-25-20)22-28-18-8-11-31-21(18)23(29-22)27-17-7-9-24-13-17/h1-6,8,10-12,17,19,24,30H,7,9,13-14H2,(H,25,26)(H,27,28,29)/t17?,19-/m0/s1
InChIKeyOCGADBCHKGCNJO-NNBQYGFHSA-N
XLogP3.67
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol (CID 118893266) is (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol is O[C@@H](CNc1cc(-c2nc(NC3CCNC3)c3sccc3n2)ccn1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is OCGADBCHKGCNJO-NNBQYGFHSA-N. The full InChI is InChI=1S/C23H24N6OS/c30-19(15-4-2-1-3-5-15)14-26-20-12-16(6-10-25-20)22-28-18-8-11-31-21(18)23(29-22)27-17-7-9-24-13-17/h1-6,8,10-12,17,19,24,30H,7,9,13-14H2,(H,25,26)(H,27,28,29)/t17?,19-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol?
(1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 432.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-[[4-[4-(pyrrolidin-3-ylamino)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 118893266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).