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

C24H27N3O2 — CID 2854001

IUPAC4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N3CCC(C)CC3)n2)cc1OC
InChIInChI=1S/C24H27N3O2/c1-17-11-13-27(14-12-17)24-25-20(18-7-5-4-6-8-18)16-21(26-24)19-9-10-22(28-2)23(15-19)29-3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyRKPDKIRTSLJOCJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.06
Rot. Bonds5

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

4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine (PubChem CID 2854001) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
PubChem CID2854001
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N3CCC(C)CC3)n2)cc1OC
InChIInChI=1S/C24H27N3O2/c1-17-11-13-27(14-12-17)24-25-20(18-7-5-4-6-8-18)16-21(26-24)19-9-10-22(28-2)23(15-19)29-3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyRKPDKIRTSLJOCJ-UHFFFAOYSA-N
XLogP5.06
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine (CID 2854001) is 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc(N3CCC(C)CC3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine?
The InChIKey is RKPDKIRTSLJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-11-13-27(14-12-17)24-25-20(18-7-5-4-6-8-18)16-21(26-24)19-9-10-22(28-2)23(15-19)29-3/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine?
4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine has a molecular weight of 389.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 2854001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).