4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine

C23H25N3O3 — CID 1338553

IUPAC4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-16-4-6-17(7-5-16)20-15-21(19-9-8-18(27-2)14-22(19)28-3)25-23(24-20)26-10-12-29-13-11-26/h4-9,14-15H,10-13H2,1-3H3
InChIKeyGTQUGGMCLKGFIL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.97
Rot. Bonds5

About 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine

4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine (PubChem CID 1338553) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
PubChem CID1338553
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-16-4-6-17(7-5-16)20-15-21(19-9-8-18(27-2)14-22(19)28-3)25-23(24-20)26-10-12-29-13-11-26/h4-9,14-15H,10-13H2,1-3H3
InChIKeyGTQUGGMCLKGFIL-UHFFFAOYSA-N
XLogP3.97
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one
CID 17067390
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
CID 2854346
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
CID 46855488
CID 46855488
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine (CID 1338553) is 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine is COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCOCC3)n2)c(OC)c1.
What is the InChIKey of 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
The InChIKey is GTQUGGMCLKGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-6-17(7-5-16)20-15-21(19-9-8-18(27-2)14-22(19)28-3)25-23(24-20)26-10-12-29-13-11-26/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine has a molecular weight of 391.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 1338553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).