2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C14H13N3O2S — CID 11380657

IUPAC2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1Cc1cc2c(=O)[nH]c(N)nc2s1
InChIInChI=1S/C14H13N3O2S/c1-19-11-5-3-2-4-8(11)6-9-7-10-12(18)16-14(15)17-13(10)20-9/h2-5,7H,6H2,1H3,(H3,15,16,17,18)
InChIKeyGVXNBJAQMOMNJD-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 11380657) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID11380657
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1Cc1cc2c(=O)[nH]c(N)nc2s1
InChIInChI=1S/C14H13N3O2S/c1-19-11-5-3-2-4-8(11)6-9-7-10-12(18)16-14(15)17-13(10)20-9/h2-5,7H,6H2,1H3,(H3,15,16,17,18)
InChIKeyGVXNBJAQMOMNJD-UHFFFAOYSA-N
XLogP2.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 91755786
ethyl 4-[4-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoate
CID 42637306
4-[4-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoic acid
CID 42637381
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid
CID 42637383
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
(4-oxo-6-propyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl benzoate
CID 58334379
(2-methoxyphenyl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625370
5-(3,4-dichlorophenyl)-2-[(2-methoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890227
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 11380657) is 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccccc1Cc1cc2c(=O)[nH]c(N)nc2s1.
What is the InChIKey of 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GVXNBJAQMOMNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-11-5-3-2-4-8(11)6-9-7-10-12(18)16-14(15)17-13(10)20-9/h2-5,7H,6H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 287.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11380657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).