4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one

C19H17N7OS — CID 166331821

IUPAC4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(Nc3nc(-c4ccccn4)nc4sccc34)C2)nc[nH]1
InChIInChI=1S/C19H17N7OS/c27-16-9-15(21-11-22-16)26-7-4-12(10-26)23-17-13-5-8-28-19(13)25-18(24-17)14-3-1-2-6-20-14/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22,27)(H,23,24,25)
InChIKeyNVLBUTHAPRMPAV-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.53
Rot. Bonds4

About 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one

4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 166331821) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID166331821
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC Name4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(Nc3nc(-c4ccccn4)nc4sccc34)C2)nc[nH]1
InChIInChI=1S/C19H17N7OS/c27-16-9-15(21-11-22-16)26-7-4-12(10-26)23-17-13-5-8-28-19(13)25-18(24-17)14-3-1-2-6-20-14/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22,27)(H,23,24,25)
InChIKeyNVLBUTHAPRMPAV-UHFFFAOYSA-N
XLogP2.53
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethyl-6-[(3S)-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 166331833
N-cyclopropyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 166245959
6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide
CID 167992083
N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166257983
[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol
CID 166310130
N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166245983
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320046
(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 138020227
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978761
3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 166320094
N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
CID 166257039
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 166331821) is 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC(Nc3nc(-c4ccccn4)nc4sccc34)C2)nc[nH]1.
What is the InChIKey of 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NVLBUTHAPRMPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c27-16-9-15(21-11-22-16)26-7-4-12(10-26)23-17-13-5-8-28-19(13)25-18(24-17)14-3-1-2-6-20-14/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22,27)(H,23,24,25).
What are the key properties of 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 391.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166331821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).