4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine

C18H21N3O2 — CID 70857113

IUPAC4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine
SMILESC/C=C/c1cc(-c2cccc(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N3O2/c1-3-5-15-13-17(14-6-4-7-16(12-14)22-2)20-18(19-15)21-8-10-23-11-9-21/h3-7,12-13H,8-11H2,1-2H3/b5-3+
InChIKeyDQCMBFIYLAVUIF-HWKANZROSA-N
MW311.39 g/mol
LogP3.02
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine

4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine (PubChem CID 70857113) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine
PubChem CID70857113
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine
SMILESC/C=C/c1cc(-c2cccc(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N3O2/c1-3-5-15-13-17(14-6-4-7-16(12-14)22-2)20-18(19-15)21-8-10-23-11-9-21/h3-7,12-13H,8-11H2,1-2H3/b5-3+
InChIKeyDQCMBFIYLAVUIF-HWKANZROSA-N
XLogP3.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-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

Related Compounds

6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
4-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
CID 86342378
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
4-[6-(3-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 135292557
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 1338553
4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 150401923
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine (CID 70857113) is 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine is C/C=C/c1cc(-c2cccc(OC)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine?
The InChIKey is DQCMBFIYLAVUIF-HWKANZROSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-5-15-13-17(14-6-4-7-16(12-14)22-2)20-18(19-15)21-8-10-23-11-9-21/h3-7,12-13H,8-11H2,1-2H3/b5-3+.
What are the key properties of 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine?
4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine has a molecular weight of 311.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70857113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).