N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C24H30N4S — CID 2554418

IUPACN-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(CN4CCCCC4)nc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C24H30N4S/c1-4-10-18(11-5-1)20-17-29-24-22(20)23(25-19-12-6-2-7-13-19)26-21(27-24)16-28-14-8-3-9-15-28/h1,4-5,10-11,17,19H,2-3,6-9,12-16H2,(H,25,26,27)
InChIKeyLEFJBYXVEJHLTK-UHFFFAOYSA-N
MW406.60 g/mol
LogP6.09
Rot. Bonds5

About N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2554418) has the molecular formula C24H30N4S and a molecular weight of 406.60 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2554418
Molecular FormulaC24H30N4S
Molecular Weight406.60 g/mol
Exact Mass406.22
IUPAC NameN-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(CN4CCCCC4)nc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C24H30N4S/c1-4-10-18(11-5-1)20-17-29-24-22(20)23(25-19-12-6-2-7-13-19)26-21(27-24)16-28-14-8-3-9-15-28/h1,4-5,10-11,17,19H,2-3,6-9,12-16H2,(H,25,26,27)
InChIKeyLEFJBYXVEJHLTK-UHFFFAOYSA-N
XLogP6.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2554418) is N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3nc(CN4CCCCC4)nc(NC4CCCCC4)c23)cc1.
What is the InChIKey of N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LEFJBYXVEJHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4S/c1-4-10-18(11-5-1)20-17-29-24-22(20)23(25-19-12-6-2-7-13-19)26-21(27-24)16-28-14-8-3-9-15-28/h1,4-5,10-11,17,19H,2-3,6-9,12-16H2,(H,25,26,27).
What are the key properties of N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 406.60 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2554418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).