[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C21H25N5OS — CID 133367481

IUPAC[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc(NC2CCN(C(=O)c3ccccn3)C2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C21H25N5OS/c1-13(2)10-15-12-28-20-18(15)19(23-14(3)24-20)25-16-7-9-26(11-16)21(27)17-6-4-5-8-22-17/h4-6,8,12-13,16H,7,9-11H2,1-3H3,(H,23,24,25)
InChIKeyFNGZGHGSAHUKCA-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.92
Rot. Bonds5

About [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 133367481) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID133367481
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc(NC2CCN(C(=O)c3ccccn3)C2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C21H25N5OS/c1-13(2)10-15-12-28-20-18(15)19(23-14(3)24-20)25-16-7-9-26(11-16)21(27)17-6-4-5-8-22-17/h4-6,8,12-13,16H,7,9-11H2,1-3H3,(H,23,24,25)
InChIKeyFNGZGHGSAHUKCA-UHFFFAOYSA-N
XLogP3.92
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 127909638
[3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404612
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121
[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97138669
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164836489
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133404555
4-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pentanamide
CID 108558110

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 133367481) is [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is Cc1nc(NC2CCN(C(=O)c3ccccn3)C2)c2c(CC(C)C)csc2n1.
What is the InChIKey of [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FNGZGHGSAHUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-13(2)10-15-12-28-20-18(15)19(23-14(3)24-20)25-16-7-9-26(11-16)21(27)17-6-4-5-8-22-17/h4-6,8,12-13,16H,7,9-11H2,1-3H3,(H,23,24,25).
What are the key properties of [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 395.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 133367481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).