3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine

C15H21N3O2S — CID 177194887

IUPAC3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine
SMILESCN.Cc1sc2c(=O)n(C3CCCCC3)cnc2c1C=O
InChIInChI=1S/C14H16N2O2S.CH5N/c1-9-11(7-17)12-13(19-9)14(18)16(8-15-12)10-5-3-2-4-6-10;1-2/h7-8,10H,2-6H2,1H3;2H2,1H3
InChIKeyLIWULIMESYWSLA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.66
Rot. Bonds2

About 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine

3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine (PubChem CID 177194887) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine
PubChem CID177194887
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine
SMILESCN.Cc1sc2c(=O)n(C3CCCCC3)cnc2c1C=O
InChIInChI=1S/C14H16N2O2S.CH5N/c1-9-11(7-17)12-13(19-9)14(18)16(8-15-12)10-5-3-2-4-6-10;1-2/h7-8,10H,2-6H2,1H3;2H2,1H3
InChIKeyLIWULIMESYWSLA-UHFFFAOYSA-N
XLogP2.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine?
The IUPAC name of 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine (CID 177194887) is 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine.
What is the SMILES notation for 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine?
The canonical SMILES for 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine is CN.Cc1sc2c(=O)n(C3CCCCC3)cnc2c1C=O.
What is the InChIKey of 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine?
The InChIKey is LIWULIMESYWSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S.CH5N/c1-9-11(7-17)12-13(19-9)14(18)16(8-15-12)10-5-3-2-4-6-10;1-2/h7-8,10H,2-6H2,1H3;2H2,1H3.
What are the key properties of 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine?
3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine has a molecular weight of 307.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine is sourced from PubChem (CID 177194887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).