2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine

C17H23N5O3 — CID 110090523

IUPAC2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(C)C(c3ccccc3OC)C2)n1
InChIInChI=1S/C17H23N5O3/c1-21-9-10-22(15-18-16(24-3)20-17(19-15)25-4)11-13(21)12-7-5-6-8-14(12)23-2/h5-8,13H,9-11H2,1-4H3
InChIKeyLNSBHPPFCVIZJM-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.39
Rot. Bonds5

About 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine

2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine (PubChem CID 110090523) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine
PubChem CID110090523
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(C)C(c3ccccc3OC)C2)n1
InChIInChI=1S/C17H23N5O3/c1-21-9-10-22(15-18-16(24-3)20-17(19-15)25-4)11-13(21)12-7-5-6-8-14(12)23-2/h5-8,13H,9-11H2,1-4H3
InChIKeyLNSBHPPFCVIZJM-UHFFFAOYSA-N
XLogP1.39
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
CID 110258059
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
CID 110293209
2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 110096855
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
CID 125017271
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110109673
(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 124992562
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine (CID 110090523) is 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCN(C)C(c3ccccc3OC)C2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine?
The InChIKey is LNSBHPPFCVIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21-9-10-22(15-18-16(24-3)20-17(19-15)25-4)11-13(21)12-7-5-6-8-14(12)23-2/h5-8,13H,9-11H2,1-4H3.
What are the key properties of 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine has a molecular weight of 345.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 110090523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).