2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C12H11N3OS2 — CID 135460673

IUPAC2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CNCc2cccs2)nc2ccsc12
InChIInChI=1S/C12H11N3OS2/c16-12-11-9(3-5-18-11)14-10(15-12)7-13-6-8-2-1-4-17-8/h1-5,13H,6-7H2,(H,14,15,16)
InChIKeySDIZTTTZFOLXRU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.34
Rot. Bonds4

About 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135460673) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135460673
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CNCc2cccs2)nc2ccsc12
InChIInChI=1S/C12H11N3OS2/c16-12-11-9(3-5-18-11)14-10(15-12)7-13-6-8-2-1-4-17-8/h1-5,13H,6-7H2,(H,14,15,16)
InChIKeySDIZTTTZFOLXRU-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135967980
2-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811821
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136723564
2-[(2-hydroxybutylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136969537
2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136842313
2-[(2-cyclopropylpropylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137000182
2-[(5-methylsulfanylpentylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136852752
2-[(2,3-difluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135981614
2-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136896815
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
2-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136870191
2-[(2-bromo-6-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136697023

Frequently Asked Questions

What is the IUPAC name of 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135460673) is 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(CNCc2cccs2)nc2ccsc12.
What is the InChIKey of 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SDIZTTTZFOLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c16-12-11-9(3-5-18-11)14-10(15-12)7-13-6-8-2-1-4-17-8/h1-5,13H,6-7H2,(H,14,15,16).
What are the key properties of 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135460673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).