1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one

C13H16N4OS — CID 39948758

IUPAC1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
SMILESO=C(CCNc1ncnc2sccc12)N1CCCC1
InChIInChI=1S/C13H16N4OS/c18-11(17-6-1-2-7-17)3-5-14-12-10-4-8-19-13(10)16-9-15-12/h4,8-9H,1-3,5-7H2,(H,14,15,16)
InChIKeySIAAMWXAEVGECD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.12
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one

1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one (PubChem CID 39948758) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
PubChem CID39948758
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
SMILESO=C(CCNc1ncnc2sccc12)N1CCCC1
InChIInChI=1S/C13H16N4OS/c18-11(17-6-1-2-7-17)3-5-14-12-10-4-8-19-13(10)16-9-15-12/h4,8-9H,1-3,5-7H2,(H,14,15,16)
InChIKeySIAAMWXAEVGECD-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
CID 115585976
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
1-pyrrolidin-1-yl-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propan-1-one
CID 115685896
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzoic acid
CID 63795475

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one (CID 39948758) is 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one is O=C(CCNc1ncnc2sccc12)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one?
The InChIKey is SIAAMWXAEVGECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-11(17-6-1-2-7-17)3-5-14-12-10-4-8-19-13(10)16-9-15-12/h4,8-9H,1-3,5-7H2,(H,14,15,16).
What are the key properties of 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one?
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one has a molecular weight of 276.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one is sourced from PubChem (CID 39948758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).