2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C15H15N3O2S — CID 139672525

IUPAC2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccc(N)cc1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-2-6-20-12-4-3-9(16)8-10(12)14-17-11-5-7-21-13(11)15(19)18-14/h3-5,7-8H,2,6,16H2,1H3,(H,17,18,19)
InChIKeyNNXVRTPCCKZNQE-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.02
Rot. Bonds4

About 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 139672525) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID139672525
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccc(N)cc1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-2-6-20-12-4-3-9(16)8-10(12)14-17-11-5-7-21-13(11)15(19)18-14/h3-5,7-8H,2,6,16H2,1H3,(H,17,18,19)
InChIKeyNNXVRTPCCKZNQE-UHFFFAOYSA-N
XLogP3.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
CID 139672515
4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 135967800
2-[[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135687396
6-[5-[(4-methylpiperazin-1-yl)methyl]-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 135967774
1-[3-(6,7-diamino-4-oxo-3H-quinazolin-2-yl)-4-propoxyphenyl]sulfonylpiperidine-4-carboxylic acid
CID 135770588
3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 143044715
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044714
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
4-propoxybenzene-1,3-diamine
CID 69462115
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135787520
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butoxybenzoate
CID 135787483

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 139672525) is 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is CCCOc1ccc(N)cc1-c1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NNXVRTPCCKZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-6-20-12-4-3-9(16)8-10(12)14-17-11-5-7-21-13(11)15(19)18-14/h3-5,7-8H,2,6,16H2,1H3,(H,17,18,19).
What are the key properties of 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 301.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139672525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).