4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine

C18H24N4O2 — CID 155800641

IUPAC4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CCN2CCN(c3cc(OC)ncn3)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-23-16-5-3-15(4-6-16)7-8-21-9-11-22(12-10-21)17-13-18(24-2)20-14-19-17/h3-6,13-14H,7-12H2,1-2H3
InChIKeyVIFPWVYYUQMGOT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.86
Rot. Bonds6

About 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine

4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 155800641) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
PubChem CID155800641
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CCN2CCN(c3cc(OC)ncn3)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-23-16-5-3-15(4-6-16)7-8-21-9-11-22(12-10-21)17-13-18(24-2)20-14-19-17/h3-6,13-14H,7-12H2,1-2H3
InChIKeyVIFPWVYYUQMGOT-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 122158640
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
2-[2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163346191
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
(3aR,6aS)-3-[3-(4-methoxyphenyl)propyl]-5-(6-methoxypyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133116211
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine (CID 155800641) is 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine is COc1ccc(CCN2CCN(c3cc(OC)ncn3)CC2)cc1.
What is the InChIKey of 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is VIFPWVYYUQMGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-16-5-3-15(4-6-16)7-8-21-9-11-22(12-10-21)17-13-18(24-2)20-14-19-17/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 328.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155800641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).