5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine

C13H18N4S — CID 9409217

IUPAC5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)=NNc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H18N4S/c1-5-10(6-2)16-17-12-11-8(3)9(4)18-13(11)15-7-14-12/h7H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyBZULGKYQRGOHOO-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.90
Rot. Bonds4

About 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9409217) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
PubChem CID9409217
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)=NNc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H18N4S/c1-5-10(6-2)16-17-12-11-8(3)9(4)18-13(11)15-7-14-12/h7H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyBZULGKYQRGOHOO-UHFFFAOYSA-N
XLogP3.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine 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

(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 9409163
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 7966290
2-[(E)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]-4-fluorophenol
CID 135758737
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-[(4-ethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4848657
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 11941077
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9409226
5,6-dimethyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 7966291
1-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135532991
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine (CID 9409217) is 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine is CCC(CC)=NNc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BZULGKYQRGOHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-5-10(6-2)16-17-12-11-8(3)9(4)18-13(11)15-7-14-12/h7H,5-6H2,1-4H3,(H,14,15,17).
What are the key properties of 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9409217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).