4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine

C17H22N4O2 — CID 2736216

IUPAC4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine
SMILESCOc1cc(OC)nc(C(c2ccccc2)N2CCNCC2)n1
InChIInChI=1S/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3
InChIKeyBGJADJLMAYMTRR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.49
Rot. Bonds5

About 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine

4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine (PubChem CID 2736216) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine
PubChem CID2736216
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine
SMILESCOc1cc(OC)nc(C(c2ccccc2)N2CCNCC2)n1
InChIInChI=1S/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3
InChIKeyBGJADJLMAYMTRR-UHFFFAOYSA-N
XLogP1.49
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
4-Methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723339
N4-(4-Methoxybenzyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 46228113
4-Methoxy-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723349
US9205085, Msx-200
CID 58757230
US9828374, Example 18
CID 118912077
3-(4,6-Dimethoxypyrimidin-2-yl)aniline
CID 2736211
4-(4,6-Dimethoxypyrimidin-2-yl)aniline
CID 2736212
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridyl)-2-phenyl-pyrimidin-4-amine
CID 70681212
2-[[[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-methylamino]methyl]benzonitrile
CID 118190226
N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine
CID 118190339
4-[[[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-methylamino]methyl]benzonitrile
CID 118190340

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine (CID 2736216) is 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine is COc1cc(OC)nc(C(c2ccccc2)N2CCNCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine?
The InChIKey is BGJADJLMAYMTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine?
4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine has a molecular weight of 314.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 2736216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).