(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

C18H18N4OS — CID 9113223

IUPAC(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2csc3ncnc(N4CCC[C@H]4C(N)=O)c23)cc1
InChIInChI=1S/C18H18N4OS/c1-11-4-6-12(7-5-11)13-9-24-18-15(13)17(20-10-21-18)22-8-2-3-14(22)16(19)23/h4-7,9-10,14H,2-3,8H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyINHQDFJVCXXMBI-AWEZNQCLSA-N
MW338.44 g/mol
LogP3.12
Rot. Bonds3

About (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 9113223) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID9113223
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2csc3ncnc(N4CCC[C@H]4C(N)=O)c23)cc1
InChIInChI=1S/C18H18N4OS/c1-11-4-6-12(7-5-11)13-9-24-18-15(13)17(20-10-21-18)22-8-2-3-14(22)16(19)23/h4-7,9-10,14H,2-3,8H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyINHQDFJVCXXMBI-AWEZNQCLSA-N
XLogP3.12
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165
1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 2457611
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 2408869
N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide
CID 46600118
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 63736298
2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 24885451
4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
CID 110497873
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 2509845
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 725229
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 9113223) is (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide is Cc1ccc(-c2csc3ncnc(N4CCC[C@H]4C(N)=O)c23)cc1.
What is the InChIKey of (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is INHQDFJVCXXMBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-4-6-12(7-5-11)13-9-24-18-15(13)17(20-10-21-18)22-8-2-3-14(22)16(19)23/h4-7,9-10,14H,2-3,8H2,1H3,(H2,19,23)/t14-/m0/s1.
What are the key properties of (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 9113223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).