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

C15H23N3S — CID 13038230

IUPAC2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCC(C)Nc1nc(C)nc2sccc12
InChIInChI=1S/C15H23N3S/c1-4-5-6-7-8-11(2)16-14-13-9-10-19-15(13)18-12(3)17-14/h9-11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyMYBXYEIDQDHUMR-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.77
Rot. Bonds7

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

2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 13038230) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID13038230
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCC(C)Nc1nc(C)nc2sccc12
InChIInChI=1S/C15H23N3S/c1-4-5-6-7-8-11(2)16-14-13-9-10-19-15(13)18-12(3)17-14/h9-11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyMYBXYEIDQDHUMR-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.77
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-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333804
6-hydrazinyl-2,5-dimethyl-N-octan-2-ylpyrimidin-4-amine
CID 80897483
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330019
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
CID 80782825
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 13038230) is 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine is CCCCCCC(C)Nc1nc(C)nc2sccc12.
What is the InChIKey of 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MYBXYEIDQDHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-5-6-7-8-11(2)16-14-13-9-10-19-15(13)18-12(3)17-14/h9-11H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13038230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).