1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one

C11H10ClN3OS — CID 62187422

IUPAC1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C11H10ClN3OS/c12-10-7-3-5-17-11(7)14-8(13-10)6-15-4-1-2-9(15)16/h3,5H,1-2,4,6H2
InChIKeyOMHFZSAUAKQMMB-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.47
Rot. Bonds2

About 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one

1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 62187422) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
PubChem CID62187422
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C11H10ClN3OS/c12-10-7-3-5-17-11(7)14-8(13-10)6-15-4-1-2-9(15)16/h3,5H,1-2,4,6H2
InChIKeyOMHFZSAUAKQMMB-UHFFFAOYSA-N
XLogP2.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 79187954
4-chloro-2-[(4-methylazepan-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 63623906
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one
CID 62962688
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 170969547
4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
CID 79467885
3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467372
4-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 62349675
4-chloro-2-(cyclohexylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 62188998
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098819
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepan-2-one
CID 43138413
2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378766

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one (CID 62187422) is 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is OMHFZSAUAKQMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-10-7-3-5-17-11(7)14-8(13-10)6-15-4-1-2-9(15)16/h3,5H,1-2,4,6H2.
What are the key properties of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 267.74 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 62187422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).