N-octylthieno[2,3-d]pyrimidin-4-amine

C14H21N3S — CID 13038312

IUPACN-octylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCCCNc1ncnc2sccc12
InChIInChI=1S/C14H21N3S/c1-2-3-4-5-6-7-9-15-13-12-8-10-18-14(12)17-11-16-13/h8,10-11H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyWFTGHZFEKFCHSV-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.46
Rot. Bonds8

About N-octylthieno[2,3-d]pyrimidin-4-amine

N-octylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 13038312) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-octylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-octylthieno[2,3-d]pyrimidin-4-amine
PubChem CID13038312
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-octylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCCCNc1ncnc2sccc12
InChIInChI=1S/C14H21N3S/c1-2-3-4-5-6-7-9-15-13-12-8-10-18-14(12)17-11-16-13/h8,10-11H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyWFTGHZFEKFCHSV-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 126840173
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133347637
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667

Frequently Asked Questions

What is the IUPAC name of N-octylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-octylthieno[2,3-d]pyrimidin-4-amine (CID 13038312) is N-octylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-octylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-octylthieno[2,3-d]pyrimidin-4-amine is CCCCCCCCNc1ncnc2sccc12.
What is the InChIKey of N-octylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WFTGHZFEKFCHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-3-4-5-6-7-9-15-13-12-8-10-18-14(12)17-11-16-13/h8,10-11H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of N-octylthieno[2,3-d]pyrimidin-4-amine?
N-octylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13038312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).