methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate

C8H7N3O3S — CID 137085271

IUPACmethyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1csc2c(=O)[nH]c(N)nc12
InChIInChI=1S/C8H7N3O3S/c1-14-7(13)3-2-15-5-4(3)10-8(9)11-6(5)12/h2H,1H3,(H3,9,10,11,12)
InChIKeyBMVBZUJPNGHSPX-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.35
Rot. Bonds1

About methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate

methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate (PubChem CID 137085271) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate
PubChem CID137085271
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Namemethyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1csc2c(=O)[nH]c(N)nc12
InChIInChI=1S/C8H7N3O3S/c1-14-7(13)3-2-15-5-4(3)10-8(9)11-6(5)12/h2H,1H3,(H3,9,10,11,12)
InChIKeyBMVBZUJPNGHSPX-UHFFFAOYSA-N
XLogP0.35
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223363
N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide
CID 137223293
2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223356
2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223297
methyl 2-amino-6-pyridin-4-yl-1H-benzimidazole-4-carboxylate
CID 66940503
methyl 6-chloro-5-oxo-7-(trifluoromethyl)-4H-thieno[3,2-b]pyridine-3-carboxylate
CID 146453186
methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135659068
methyl 4-amino-3-methylthieno[3,2-c]pyridine-7-carboxylate
CID 135393998
methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate
CID 171989441
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
methyl 5-oxo-7-(trifluoromethyl)-4H-thieno[3,2-b]pyridine-3-carboxylate
CID 2808485
methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
CID 130905624

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate (CID 137085271) is methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate is COC(=O)c1csc2c(=O)[nH]c(N)nc12.
What is the InChIKey of methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is BMVBZUJPNGHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-14-7(13)3-2-15-5-4(3)10-8(9)11-6(5)12/h2H,1H3,(H3,9,10,11,12).
What are the key properties of methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate?
methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 225.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 137085271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).