4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine

C14H21N3OS — CID 103331259

IUPAC4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCCCCCOc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C14H21N3OS/c1-3-4-5-6-7-8-18-12-11-9-10(2)19-13(11)17-14(15)16-12/h9H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyNJFXFYLJDGJYJU-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.93
Rot. Bonds7

About 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine

4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331259) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331259
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCCCCCOc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C14H21N3OS/c1-3-4-5-6-7-8-18-12-11-9-10(2)19-13(11)17-14(15)16-12/h9H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyNJFXFYLJDGJYJU-UHFFFAOYSA-N
XLogP3.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-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

6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333279
6-methyl-4-(2-propan-2-yloxyethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331522
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
CID 103331610
4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332823
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
CID 59523074
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333367
6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331283
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103331259) is 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine is CCCCCCCOc1nc(N)nc2sc(C)cc12.
What is the InChIKey of 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NJFXFYLJDGJYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-4-5-6-7-8-18-12-11-9-10(2)19-13(11)17-14(15)16-12/h9H,3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).