4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine

C18H23N3O2 — CID 170871376

IUPAC4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
SMILESCOc1ccc(-c2ncc(CCCN3CCOCC3)cn2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-17-6-4-16(5-7-17)18-19-13-15(14-20-18)3-2-8-21-9-11-23-12-10-21/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyCVSOMXPDILNCAW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.42
Rot. Bonds6

About 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine

4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine (PubChem CID 170871376) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
PubChem CID170871376
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
SMILESCOc1ccc(-c2ncc(CCCN3CCOCC3)cn2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-17-6-4-16(5-7-17)18-19-13-15(14-20-18)3-2-8-21-9-11-23-12-10-21/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyCVSOMXPDILNCAW-UHFFFAOYSA-N
XLogP2.42
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 170871369
1-[(6R)-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 99927971
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
CID 21288727
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
CID 74250827
1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azepan-4-amine
CID 74232657

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine (CID 170871376) is 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine is COc1ccc(-c2ncc(CCCN3CCOCC3)cn2)cc1.
What is the InChIKey of 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine?
The InChIKey is CVSOMXPDILNCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-17-6-4-16(5-7-17)18-19-13-15(14-20-18)3-2-8-21-9-11-23-12-10-21/h4-7,13-14H,2-3,8-12H2,1H3.
What are the key properties of 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine?
4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine is sourced from PubChem (CID 170871376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).