4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide

C22H28ClN5O2 — CID 83281259

IUPAC4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
SMILESCC1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)NC1CCCCC1
InChIInChI=1S/C22H28ClN5O2/c1-16-14-27(11-12-28(16)22(29)26-17-7-3-2-4-8-17)20-13-21(25-15-24-20)30-19-10-6-5-9-18(19)23/h5-6,9-10,13,15-17H,2-4,7-8,11-12,14H2,1H3,(H,26,29)
InChIKeyCCRZSELWENBEHG-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.48
Rot. Bonds4

About 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide

4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide (PubChem CID 83281259) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
PubChem CID83281259
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
SMILESCC1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)NC1CCCCC1
InChIInChI=1S/C22H28ClN5O2/c1-16-14-27(11-12-28(16)22(29)26-17-7-3-2-4-8-17)20-13-21(25-15-24-20)30-19-10-6-5-9-18(19)23/h5-6,9-10,13,15-17H,2-4,7-8,11-12,14H2,1H3,(H,26,29)
InChIKeyCCRZSELWENBEHG-UHFFFAOYSA-N
XLogP4.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide 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 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide (CID 83281259) is 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide is CC1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)NC1CCCCC1.
What is the InChIKey of 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide?
The InChIKey is CCRZSELWENBEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-16-14-27(11-12-28(16)22(29)26-17-7-3-2-4-8-17)20-13-21(25-15-24-20)30-19-10-6-5-9-18(19)23/h5-6,9-10,13,15-17H,2-4,7-8,11-12,14H2,1H3,(H,26,29).
What are the key properties of 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide?
4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 83281259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).