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

C18H19N3OS — CID 15985997

IUPACN-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(OC2CCCCC2)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C18H19N3OS/c1-2-6-13(7-3-1)22-16-9-5-4-8-15(16)21-17-14-10-11-23-18(14)20-12-19-17/h4-5,8-13H,1-3,6-7H2,(H,19,20,21)
InChIKeyLJFXQRVGUYDYJS-UHFFFAOYSA-N
MW325.44 g/mol
LogP5.15
Rot. Bonds4

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

N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 15985997) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID15985997
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(OC2CCCCC2)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C18H19N3OS/c1-2-6-13(7-3-1)22-16-9-5-4-8-15(16)21-17-14-10-11-23-18(14)20-12-19-17/h4-5,8-13H,1-3,6-7H2,(H,19,20,21)
InChIKeyLJFXQRVGUYDYJS-UHFFFAOYSA-N
XLogP5.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 15985997) is N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(OC2CCCCC2)c(Nc2ncnc3sccc23)c1.
What is the InChIKey of N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LJFXQRVGUYDYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-6-13(7-3-1)22-16-9-5-4-8-15(16)21-17-14-10-11-23-18(14)20-12-19-17/h4-5,8-13H,1-3,6-7H2,(H,19,20,21).
What are the key properties of N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15985997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).