N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine

C20H22N6O2S — CID 87578263

IUPACN-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
SMILESCC(=NOc1ncnc(OC2CCN(c3ncccn3)CC2)c1C)c1cccs1
InChIInChI=1S/C20H22N6O2S/c1-14-18(23-13-24-19(14)28-25-15(2)17-5-3-12-29-17)27-16-6-10-26(11-7-16)20-21-8-4-9-22-20/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyZYEHSFSSKREXPQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.49
Rot. Bonds6

About N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine

N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine (PubChem CID 87578263) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
PubChem CID87578263
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
SMILESCC(=NOc1ncnc(OC2CCN(c3ncccn3)CC2)c1C)c1cccs1
InChIInChI=1S/C20H22N6O2S/c1-14-18(23-13-24-19(14)28-25-15(2)17-5-3-12-29-17)27-16-6-10-26(11-7-16)20-21-8-4-9-22-20/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyZYEHSFSSKREXPQ-UHFFFAOYSA-N
XLogP3.49
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxyethanimine
CID 87578363
4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 86665163
5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 154461657
4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 67511535
1-(4-fluorophenyl)-N-[5-methyl-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]oxyethanimine
CID 74975100
N-[5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
CID 75220214
4-(1,3,2-dioxathian-5-yl)-2-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]phenol
CID 136601990
4-[5-methyl-6-[(Z)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87578648
1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine
CID 87578645
N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
CID 87578602
4-[6-[(E)-[(3,4-difluorophenyl)-phenylmethylidene]amino]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87578968
[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] thiophene-2-carboxylate
CID 30580321

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine?
The IUPAC name of N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine (CID 87578263) is N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine?
The canonical SMILES for N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine is CC(=NOc1ncnc(OC2CCN(c3ncccn3)CC2)c1C)c1cccs1.
What is the InChIKey of N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine?
The InChIKey is ZYEHSFSSKREXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-14-18(23-13-24-19(14)28-25-15(2)17-5-3-12-29-17)27-16-6-10-26(11-7-16)20-21-8-4-9-22-20/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3.
What are the key properties of N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine?
N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine has a molecular weight of 410.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine is sourced from PubChem (CID 87578263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).