7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C20H18N4O2S — CID 142506381

IUPAC7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCNCCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C20H18N4O2S/c1-21-9-10-26-14-6-4-5-13(11-14)15-12-27-18-17(15)23-19(24-20(18)25)16-7-2-3-8-22-16/h2-8,11-12,21H,9-10H2,1H3,(H,23,24,25)
InChIKeyQKENHKOEBQQARZ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.31
Rot. Bonds6

About 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 142506381) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID142506381
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCNCCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C20H18N4O2S/c1-21-9-10-26-14-6-4-5-13(11-14)15-12-27-18-17(15)23-19(24-20(18)25)16-7-2-3-8-22-16/h2-8,11-12,21H,9-10H2,1H3,(H,23,24,25)
InChIKeyQKENHKOEBQQARZ-UHFFFAOYSA-N
XLogP3.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(pyridin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11648145
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 124156389
N-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3364511
3-Ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729747
3-[(3-Methoxyphenyl)methyl]-6-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-4-one
CID 156019065
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-({4-oxo-3-[(pyridin-2-YL)methyl]-3H,4H-thieno[3,2-D]pyrimidin-2-YL}sulfanyl)acetamide
CID 4589215
N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
CID 46942443
6-(3-Methoxyphenyl)-3-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46942573
2-[3-(Dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one
CID 46948437
6-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 49790243
3-[(3-Methoxyphenyl)methyl]-7-(2-pyridin-3-ylethylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 121313525
3-[(3-Methoxyphenyl)methyl]-7-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 121313533

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 142506381) is 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CNCCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.
What is the InChIKey of 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is QKENHKOEBQQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-21-9-10-26-14-6-4-5-13(11-14)15-12-27-18-17(15)23-19(24-20(18)25)16-7-2-3-8-22-16/h2-8,11-12,21H,9-10H2,1H3,(H,23,24,25).
What are the key properties of 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 378.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142506381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).