4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

C20H24ClN3O2 — CID 135154119

IUPAC4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
SMILESCOc1ccc(OC2CCN(c3nc(C4CC4)nc(Cl)c3C)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-13-18(21)22-19(14-3-4-14)23-20(13)24-11-9-17(10-12-24)26-16-7-5-15(25-2)6-8-16/h5-8,14,17H,3-4,9-12H2,1-2H3
InChIKeyVDDCAWHYJLJFDN-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.37
Rot. Bonds5

About 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine (PubChem CID 135154119) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
PubChem CID135154119
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
SMILESCOc1ccc(OC2CCN(c3nc(C4CC4)nc(Cl)c3C)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-13-18(21)22-19(14-3-4-14)23-20(13)24-11-9-17(10-12-24)26-16-7-5-15(25-2)6-8-16/h5-8,14,17H,3-4,9-12H2,1-2H3
InChIKeyVDDCAWHYJLJFDN-UHFFFAOYSA-N
XLogP4.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine 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-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine (CID 135154119) is 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine is COc1ccc(OC2CCN(c3nc(C4CC4)nc(Cl)c3C)CC2)cc1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The InChIKey is VDDCAWHYJLJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-13-18(21)22-19(14-3-4-14)23-20(13)24-11-9-17(10-12-24)26-16-7-5-15(25-2)6-8-16/h5-8,14,17H,3-4,9-12H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 373.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 135154119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).