4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde

C15H21N5OS — CID 88740274

IUPAC4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESCCc1sc2nc(N3CCN(C=O)CC3)nc(NC)c2c1C
InChIInChI=1S/C15H21N5OS/c1-4-11-10(2)12-13(16-3)17-15(18-14(12)22-11)20-7-5-19(9-21)6-8-20/h9H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyNRVZQNZDKRIZJB-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.88
Rot. Bonds4

About 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde

4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde (PubChem CID 88740274) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
PubChem CID88740274
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESCCc1sc2nc(N3CCN(C=O)CC3)nc(NC)c2c1C
InChIInChI=1S/C15H21N5OS/c1-4-11-10(2)12-13(16-3)17-15(18-14(12)22-11)20-7-5-19(9-21)6-8-20/h9H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyNRVZQNZDKRIZJB-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.88
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

6-ethyl-N,5-dimethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536211
6-ethyl-5-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536376
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde
CID 13073795
N-methyl-10-piperazin-1-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 70535843
4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde
CID 88740644
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide
CID 143626952
N,5,6-trimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 62192217
4-[(7S)-7-(furan-2-yl)-4-(methylamino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 41286472
4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870818
2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 57164201

Frequently Asked Questions

What is the IUPAC name of 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde (CID 88740274) is 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde is CCc1sc2nc(N3CCN(C=O)CC3)nc(NC)c2c1C.
What is the InChIKey of 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is NRVZQNZDKRIZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-11-10(2)12-13(16-3)17-15(18-14(12)22-11)20-7-5-19(9-21)6-8-20/h9H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde?
4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 319.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 88740274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).