N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine

C14H21N3S — CID 114138437

IUPACN-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCC(CCC)Nc1ncnc2ccsc12
InChIInChI=1S/C14H21N3S/c1-3-5-7-11(6-4-2)17-14-13-12(8-9-18-13)15-10-16-14/h8-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyOCDXDJWOBPLISP-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.46
Rot. Bonds7

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

N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 114138437) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID114138437
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCC(CCC)Nc1ncnc2ccsc12
InChIInChI=1S/C14H21N3S/c1-3-5-7-11(6-4-2)17-14-13-12(8-9-18-13)15-10-16-14/h8-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyOCDXDJWOBPLISP-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
CID 158505889
4-butylthieno[3,2-d]pyrimidine
CID 178009105
5-methoxy-2-(thieno[3,2-d]pyrimidin-4-ylamino)pentanoic acid
CID 81078600
6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
CID 106026043
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114138445

Frequently Asked Questions

What is the IUPAC name of N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine (CID 114138437) is N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine is CCCCC(CCC)Nc1ncnc2ccsc12.
What is the InChIKey of N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OCDXDJWOBPLISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-5-7-11(6-4-2)17-14-13-12(8-9-18-13)15-10-16-14/h8-11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine?
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114138437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).