3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol

C60H72N16O3 — CID 157328316

IUPAC3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccc(N3CCNCC3)cc2)nc1.COc1ccc(-c2ccc(N3CCNCC3)cc2)nn1.COc1cnc(-c2ccc(N3CCNCC3)cc2)nc1.c1cnc(-c2ccc(N3CCNCC3)cc2)cn1
InChIInChI=1S/C16H20N4O.2C15H18N4O.C14H16N4/c1-12(21)14-10-18-16(19-11-14)13-2-4-15(5-3-13)20-8-6-17-7-9-20;1-20-14-10-17-15(18-11-14)12-2-4-13(5-3-12)19-8-6-16-7-9-19;1-20-15-7-6-14(17-18-15)12-2-4-13(5-3-12)19-10-8-16-9-11-19;1-3-13(18-9-7-15-8-10-18)4-2-12(1)14-11-16-5-6-17-14/h2-5,10-12,17,21H,6-9H2,1H3;2-5,10-11,16H,6-9H2,1H3;2-7,16H,8-11H2,1H3;1-6,11,15H,7-10H2
InChIKeyBEZHZOKNXLLFLN-UHFFFAOYSA-N
MW1065.35 g/mol
LogP6.28
Rot. Bonds11

About 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol

3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol (PubChem CID 157328316) has the molecular formula C60H72N16O3 and a molecular weight of 1065.35 g/mol. Its IUPAC name is 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol
PubChem CID157328316
Molecular FormulaC60H72N16O3
Molecular Weight1065.35 g/mol
Exact Mass1064.60
IUPAC Name3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccc(N3CCNCC3)cc2)nc1.COc1ccc(-c2ccc(N3CCNCC3)cc2)nn1.COc1cnc(-c2ccc(N3CCNCC3)cc2)nc1.c1cnc(-c2ccc(N3CCNCC3)cc2)cn1
InChIInChI=1S/C16H20N4O.2C15H18N4O.C14H16N4/c1-12(21)14-10-18-16(19-11-14)13-2-4-15(5-3-13)20-8-6-17-7-9-20;1-20-14-10-17-15(18-11-14)12-2-4-13(5-3-12)19-8-6-16-7-9-19;1-20-15-7-6-14(17-18-15)12-2-4-13(5-3-12)19-10-8-16-9-11-19;1-3-13(18-9-7-15-8-10-18)4-2-12(1)14-11-16-5-6-17-14/h2-5,10-12,17,21H,6-9H2,1H3;2-5,10-11,16H,6-9H2,1H3;2-7,16H,8-11H2,1H3;1-6,11,15H,7-10H2
InChIKeyBEZHZOKNXLLFLN-UHFFFAOYSA-N
XLogP6.28
TPSA202.89 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.35
LogP ≤ 56.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

TLR7 agonist 19
CID 166685067
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-3-yloxyethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728453
(3S)-3-[[5-amino-1-[[3-methoxy-5-(1-piperidin-4-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 156813481
(3S)-3-[[5-amino-1-[[5-(7-azaspiro[3.5]non-2-en-2-yl)-3-methoxy-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 165370648
(3S)-3-[[5-amino-1-[[3-methoxy-5-[7-(oxan-4-yl)-7-azaspiro[3.5]non-2-en-2-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 165370655
(3S)-3-[[5-amino-1-[(3-methoxy-5-piperidin-4-yl-2-pyridinyl)methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 165370809
(3S)-3-[[5-amino-1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 166685044
(3S)-3-[[5-amino-1-[[3-methoxy-5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 166685063
(3S)-3-[[5-amino-1-[[3-methoxy-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 166695235
(3S)-3-[[5-amino-1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 169702835
(3S)-3-[[5-amino-1-[[5-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxy-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 169702909
(3S)-3-[[5-amino-1-[[3-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 172461076

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol (CID 157328316) is 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol is CC(O)c1cnc(-c2ccc(N3CCNCC3)cc2)nc1.COc1ccc(-c2ccc(N3CCNCC3)cc2)nn1.COc1cnc(-c2ccc(N3CCNCC3)cc2)nc1.c1cnc(-c2ccc(N3CCNCC3)cc2)cn1.
What is the InChIKey of 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol?
The InChIKey is BEZHZOKNXLLFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2C15H18N4O.C14H16N4/c1-12(21)14-10-18-16(19-11-14)13-2-4-15(5-3-13)20-8-6-17-7-9-20;1-20-14-10-17-15(18-11-14)12-2-4-13(5-3-12)19-8-6-16-7-9-19;1-20-15-7-6-14(17-18-15)12-2-4-13(5-3-12)19-10-8-16-9-11-19;1-3-13(18-9-7-15-8-10-18)4-2-12(1)14-11-16-5-6-17-14/h2-5,10-12,17,21H,6-9H2,1H3;2-5,10-11,16H,6-9H2,1H3;2-7,16H,8-11H2,1H3;1-6,11,15H,7-10H2.
What are the key properties of 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol?
3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol has a molecular weight of 1065.35 g/mol, XLogP of 6.28, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(4-piperazin-1-ylphenyl)pyridazine;5-methoxy-2-(4-piperazin-1-ylphenyl)pyrimidine;2-(4-piperazin-1-ylphenyl)pyrazine;1-[2-(4-piperazin-1-ylphenyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 157328316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).