N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine

C16H23N3S — CID 103967085

IUPACN-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ncnc3ccsc23)CC(C)(C)C1
InChIInChI=1S/C16H23N3S/c1-15(2)7-11(8-16(3,4)9-15)19-14-13-12(5-6-20-13)17-10-18-14/h5-6,10-11H,7-9H2,1-4H3,(H,17,18,19)
InChIKeyXFYGBOLOVUVGHB-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.71
Rot. Bonds2

About N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine

N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 103967085) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID103967085
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ncnc3ccsc23)CC(C)(C)C1
InChIInChI=1S/C16H23N3S/c1-15(2)7-11(8-16(3,4)9-15)19-14-13-12(5-6-20-13)17-10-18-14/h5-6,10-11H,7-9H2,1-4H3,(H,17,18,19)
InChIKeyXFYGBOLOVUVGHB-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine (CID 103967085) is N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine is CC1(C)CC(Nc2ncnc3ccsc23)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XFYGBOLOVUVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-15(2)7-11(8-16(3,4)9-15)19-14-13-12(5-6-20-13)17-10-18-14/h5-6,10-11H,7-9H2,1-4H3,(H,17,18,19).
What are the key properties of N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine?
N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 103967085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).