5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine

C16H23N3S — CID 155558833

IUPAC5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2scc(C3CCCCC3)c12
InChIInChI=1S/C16H23N3S/c1-3-19(4-2)15-14-13(12-8-6-5-7-9-12)10-20-16(14)18-11-17-15/h10-12H,3-9H2,1-2H3
InChIKeyXRONWRAUPCLAHB-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.59
Rot. Bonds4

About 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine

5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 155558833) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID155558833
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2scc(C3CCCCC3)c12
InChIInChI=1S/C16H23N3S/c1-3-19(4-2)15-14-13(12-8-6-5-7-9-12)10-20-16(14)18-11-17-15/h10-12H,3-9H2,1-2H3
InChIKeyXRONWRAUPCLAHB-UHFFFAOYSA-N
XLogP4.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine (CID 155558833) is 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1ncnc2scc(C3CCCCC3)c12.
What is the InChIKey of 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XRONWRAUPCLAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-19(4-2)15-14-13(12-8-6-5-7-9-12)10-20-16(14)18-11-17-15/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N,N-diethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155558833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).