3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one

C11H13N3OS — CID 61386927

IUPAC3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1CCNC1CC1
InChIInChI=1S/C11H13N3OS/c15-11-9-3-6-16-10(9)13-7-14(11)5-4-12-8-1-2-8/h3,6-8,12H,1-2,4-5H2
InChIKeyNFIJPMXTGGZEPB-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.21
Rot. Bonds4

About 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 61386927) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID61386927
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1CCNC1CC1
InChIInChI=1S/C11H13N3OS/c15-11-9-3-6-16-10(9)13-7-14(11)5-4-12-8-1-2-8/h3,6-8,12H,1-2,4-5H2
InChIKeyNFIJPMXTGGZEPB-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(prop-2-enylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564362
3-[2-(oxolan-3-ylmethylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564708
3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 39746239
3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62563166
5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912101
3-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62562447
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 63316363
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94115436
2-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyridazine-3,6-dione
CID 39755774
3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62563677
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 61386927) is 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1CCNC1CC1.
What is the InChIKey of 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NFIJPMXTGGZEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-11-9-3-6-16-10(9)13-7-14(11)5-4-12-8-1-2-8/h3,6-8,12H,1-2,4-5H2.
What are the key properties of 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 235.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 61386927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).