N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide

C19H21N5O2S — CID 68792388

IUPACN,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Oc2ccccc2Nc2ncnc3sccc23)C1
InChIInChI=1S/C19H21N5O2S/c1-23(2)19(25)24-9-7-13(11-24)26-16-6-4-3-5-15(16)22-17-14-8-10-27-18(14)21-12-20-17/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,20,21,22)
InChIKeyCHTGYCKELLZZOK-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.57
Rot. Bonds4

About N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide

N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide (PubChem CID 68792388) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide
PubChem CID68792388
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Oc2ccccc2Nc2ncnc3sccc23)C1
InChIInChI=1S/C19H21N5O2S/c1-23(2)19(25)24-9-7-13(11-24)26-16-6-4-3-5-15(16)22-17-14-8-10-27-18(14)21-12-20-17/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,20,21,22)
InChIKeyCHTGYCKELLZZOK-UHFFFAOYSA-N
XLogP3.57
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985997
cyclopropyl-[3-[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]pyrrolidin-1-yl]methanone
CID 68792195
N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59360026
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212
N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 15985925
4-[2-[1-[2-(dimethylamino)acetyl]pyrrolidin-3-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 58413013
3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide
CID 16731273
N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 59360037
4-[4-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 67396573
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803
N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 68792044
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide (CID 68792388) is N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC(Oc2ccccc2Nc2ncnc3sccc23)C1.
What is the InChIKey of N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide?
The InChIKey is CHTGYCKELLZZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-23(2)19(25)24-9-7-13(11-24)26-16-6-4-3-5-15(16)22-17-14-8-10-27-18(14)21-12-20-17/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide?
N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 68792388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).