2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one

C9H11N3OS — CID 135967980

IUPAC2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCNCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C9H11N3OS/c1-2-10-5-7-11-6-3-4-14-8(6)9(13)12-7/h3-4,10H,2,5H2,1H3,(H,11,12,13)
InChIKeyGHZWIBAQIJKVNI-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.09
Rot. Bonds3

About 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135967980) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135967980
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCNCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C9H11N3OS/c1-2-10-5-7-11-6-3-4-14-8(6)9(13)12-7/h3-4,10H,2,5H2,1H3,(H,11,12,13)
InChIKeyGHZWIBAQIJKVNI-UHFFFAOYSA-N
XLogP1.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxybutylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136969537
2-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811821
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136703815
2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135460673
2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135977190
2-[(2-methylpentan-3-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135981617
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136723564
2-[(2-cyclopropylpropylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137000182
2-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136870191
2-[(5-methylsulfanylpentylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136852752
2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136842313
N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide
CID 136713557

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135967980) is 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one is CCNCc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GHZWIBAQIJKVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-10-5-7-11-6-3-4-14-8(6)9(13)12-7/h3-4,10H,2,5H2,1H3,(H,11,12,13).
What are the key properties of 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 209.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135967980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).