4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine

C25H29N3O3 — CID 2854346

IUPAC4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C25H29N3O3/c1-17-11-13-28(14-12-17)25-26-21(18-5-8-20(29-2)9-6-18)16-22(27-25)19-7-10-23(30-3)24(15-19)31-4/h5-10,15-17H,11-14H2,1-4H3
InChIKeyBXEPNIUQMMKQFV-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.07
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine

4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 2854346) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID2854346
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C25H29N3O3/c1-17-11-13-28(14-12-17)25-26-21(18-5-8-20(29-2)9-6-18)16-22(27-25)19-7-10-23(30-3)24(15-19)31-4/h5-10,15-17H,11-14H2,1-4H3
InChIKeyBXEPNIUQMMKQFV-UHFFFAOYSA-N
XLogP5.07
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
CID 2854001
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 28904443
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
CID 46855488
CID 46855488
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 1338553
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 44824454
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2460969

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine (CID 2854346) is 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine is COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N3CCC(C)CC3)n2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is BXEPNIUQMMKQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-11-13-28(14-12-17)25-26-21(18-5-8-20(29-2)9-6-18)16-22(27-25)19-7-10-23(30-3)24(15-19)31-4/h5-10,15-17H,11-14H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine?
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 419.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 2854346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).