N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C20H27N3O2 — CID 46238977

IUPACN-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCCCC2)ncc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)25-17-11-9-15(10-12-17)18-13-21-20(23-19(18)24-3)22-16-7-5-4-6-8-16/h9-14,16H,4-8H2,1-3H3,(H,21,22,23)
InChIKeySSQAZKRWSBGINZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.68
Rot. Bonds6

About N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 46238977) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID46238977
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCCCC2)ncc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)25-17-11-9-15(10-12-17)18-13-21-20(23-19(18)24-3)22-16-7-5-4-6-8-16/h9-14,16H,4-8H2,1-3H3,(H,21,22,23)
InChIKeySSQAZKRWSBGINZ-UHFFFAOYSA-N
XLogP4.68
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 46238977) is N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is COc1nc(NC2CCCCC2)ncc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is SSQAZKRWSBGINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)25-17-11-9-15(10-12-17)18-13-21-20(23-19(18)24-3)22-16-7-5-4-6-8-16/h9-14,16H,4-8H2,1-3H3,(H,21,22,23).
What are the key properties of N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46238977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).