2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C19H21N3OS — CID 135569844

IUPAC2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(NCc1nc2ccsc2c(=O)[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21N3OS/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)20-11-17-21-16-8-9-24-18(16)19(23)22-17/h6-10,12,20H,2-5,11H2,1H3,(H,21,22,23)
InChIKeyZLZPHCNCALVIDD-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.71
Rot. Bonds4

About 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135569844) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135569844
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(NCc1nc2ccsc2c(=O)[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21N3OS/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)20-11-17-21-16-8-9-24-18(16)19(23)22-17/h6-10,12,20H,2-5,11H2,1H3,(H,21,22,23)
InChIKeyZLZPHCNCALVIDD-UHFFFAOYSA-N
XLogP3.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135802912
2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135992616
2-[(2-methylpentan-3-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135981617
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135967980
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885064
2-[(2-cyclopropylpropylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137000182
N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide
CID 136713557
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136703815
2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135977190

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135569844) is 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CC(NCc1nc2ccsc2c(=O)[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZLZPHCNCALVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)20-11-17-21-16-8-9-24-18(16)19(23)22-17/h6-10,12,20H,2-5,11H2,1H3,(H,21,22,23).
What are the key properties of 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 339.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135569844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).