2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine

C22H20N4S — CID 18287796

IUPAC2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC2c2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H20N4S/c1-15-24-21(26-12-6-10-19(26)17-9-5-11-23-13-17)20-18(14-27-22(20)25-15)16-7-3-2-4-8-16/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3
InChIKeyHJDAMLMUNZQIGY-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.40
Rot. Bonds3

About 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine

2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 18287796) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID18287796
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC2c2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H20N4S/c1-15-24-21(26-12-6-10-19(26)17-9-5-11-23-13-17)20-18(14-27-22(20)25-15)16-7-3-2-4-8-16/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3
InChIKeyHJDAMLMUNZQIGY-UHFFFAOYSA-N
XLogP5.40
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-2-pyridin-3-yl-4-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 55855653
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
CID 40710056
4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 9113727
(2R,4S)-4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 11923372
3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine
CID 105367698
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
CID 7874202
4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133336739
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine (CID 18287796) is 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine is Cc1nc(N2CCCC2c2cccnc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is HJDAMLMUNZQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-15-24-21(26-12-6-10-19(26)17-9-5-11-23-13-17)20-18(14-27-22(20)25-15)16-7-3-2-4-8-16/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3.
What are the key properties of 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 372.50 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 18287796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).