4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine

C15H16ClN3O2 — CID 46133613

IUPAC4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine
SMILESCc1cc(Oc2cc(N3CCOCC3)ncn2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-11-8-12(2-3-13(11)16)21-15-9-14(17-10-18-15)19-4-6-20-7-5-19/h2-3,8-10H,4-7H2,1H3
InChIKeyOFVPDNQGZXPJNZ-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.07
Rot. Bonds3

About 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine

4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine (PubChem CID 46133613) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine
PubChem CID46133613
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine
SMILESCc1cc(Oc2cc(N3CCOCC3)ncn2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-11-8-12(2-3-13(11)16)21-15-9-14(17-10-18-15)19-4-6-20-7-5-19/h2-3,8-10H,4-7H2,1H3
InChIKeyOFVPDNQGZXPJNZ-UHFFFAOYSA-N
XLogP3.07
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine 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-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine (CID 46133613) is 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine is Cc1cc(Oc2cc(N3CCOCC3)ncn2)ccc1Cl.
What is the InChIKey of 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine?
The InChIKey is OFVPDNQGZXPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-11-8-12(2-3-13(11)16)21-15-9-14(17-10-18-15)19-4-6-20-7-5-19/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine?
4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine has a molecular weight of 305.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46133613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).