3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile

C18H20N8O — CID 90356705

IUPAC3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESCOCCN(C)c1ccc(-c2ccnc(Nc3cnn(C)c3)n2)nc1C#N
InChIInChI=1S/C18H20N8O/c1-25(8-9-27-3)17-5-4-14(23-16(17)10-19)15-6-7-20-18(24-15)22-13-11-21-26(2)12-13/h4-7,11-12H,8-9H2,1-3H3,(H,20,22,24)
InChIKeyZYXSGPPFODUOKB-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.97
Rot. Bonds7

About 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile

3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 90356705) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
PubChem CID90356705
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESCOCCN(C)c1ccc(-c2ccnc(Nc3cnn(C)c3)n2)nc1C#N
InChIInChI=1S/C18H20N8O/c1-25(8-9-27-3)17-5-4-14(23-16(17)10-19)15-6-7-20-18(24-15)22-13-11-21-26(2)12-13/h4-7,11-12H,8-9H2,1-3H3,(H,20,22,24)
InChIKeyZYXSGPPFODUOKB-UHFFFAOYSA-N
XLogP1.97
TPSA104.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
1-(2-ethoxyethyl)-3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11574797
1-(2-ethoxyethyl)-3-methyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11682414
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11690391
3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11720166
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888519
1-(2-ethoxyethyl)-3-ethyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888541
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile (CID 90356705) is 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile is COCCN(C)c1ccc(-c2ccnc(Nc3cnn(C)c3)n2)nc1C#N.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The InChIKey is ZYXSGPPFODUOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-25(8-9-27-3)17-5-4-14(23-16(17)10-19)15-6-7-20-18(24-15)22-13-11-21-26(2)12-13/h4-7,11-12H,8-9H2,1-3H3,(H,20,22,24).
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 90356705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).