2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde

C8H7N3O2S — CID 82395158

IUPAC2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESCOc1nc(N)nc2sc(C=O)cc12
InChIInChI=1S/C8H7N3O2S/c1-13-6-5-2-4(3-12)14-7(5)11-8(9)10-6/h2-3H,1H3,(H2,9,10,11)
InChIKeyNYMHHJJDPGYQSI-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde

2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 82395158) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID82395158
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESCOc1nc(N)nc2sc(C=O)cc12
InChIInChI=1S/C8H7N3O2S/c1-13-6-5-2-4(3-12)14-7(5)11-8(9)10-6/h2-3H,1H3,(H2,9,10,11)
InChIKeyNYMHHJJDPGYQSI-UHFFFAOYSA-N
XLogP1.09
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde
CID 143488193
2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane
CID 143009743
2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
CID 11644056
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;methanamine;methoxymethane
CID 143159716
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 157231027
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
2-amino-4-[5-(butylaminomethyl)-2-methylphenyl]thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylethanamine
CID 143009687
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
CID 167822267
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde (CID 82395158) is 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde is COc1nc(N)nc2sc(C=O)cc12.
What is the InChIKey of 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is NYMHHJJDPGYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-13-6-5-2-4(3-12)14-7(5)11-8(9)10-6/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde?
2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 209.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 82395158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).