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

C18H19N3S — CID 693925

IUPACN-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C18H19N3S/c1-3-7-13(8-4-1)15-11-22-18-16(15)17(19-12-20-18)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21)
InChIKeyZZQZIWHZWWSACF-UHFFFAOYSA-N
MW309.44 g/mol
LogP5.10
Rot. Bonds3

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

N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 693925) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID693925
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C18H19N3S/c1-3-7-13(8-4-1)15-11-22-18-16(15)17(19-12-20-18)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21)
InChIKeyZZQZIWHZWWSACF-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 693925) is N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3ncnc(NC4CCCCC4)c23)cc1.
What is the InChIKey of N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZZQZIWHZWWSACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-3-7-13(8-4-1)15-11-22-18-16(15)17(19-12-20-18)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21).
What are the key properties of N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 693925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).