2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile

C20H19N5O — CID 170614534

IUPAC2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCc1ncc(Nc2nccc3cc(OCC4(CC#N)CC4)ccc23)cn1
InChIInChI=1S/C20H19N5O/c1-14-23-11-16(12-24-14)25-19-18-3-2-17(10-15(18)4-9-22-19)26-13-20(5-6-20)7-8-21/h2-4,9-12H,5-7,13H2,1H3,(H,22,25)
InChIKeyZAHQEWFZAWUDTF-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.15
Rot. Bonds6

About 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile

2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile (PubChem CID 170614534) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile
PubChem CID170614534
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCc1ncc(Nc2nccc3cc(OCC4(CC#N)CC4)ccc23)cn1
InChIInChI=1S/C20H19N5O/c1-14-23-11-16(12-24-14)25-19-18-3-2-17(10-15(18)4-9-22-19)26-13-20(5-6-20)7-8-21/h2-4,9-12H,5-7,13H2,1H3,(H,22,25)
InChIKeyZAHQEWFZAWUDTF-UHFFFAOYSA-N
XLogP4.15
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile with MolForge

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Related Compounds

6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine
CID 170435536
3-[[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl]oxymethyl]oxetane-3-carbonitrile
CID 170435593
(3R)-3-[[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl]oxymethyl]oxolane-3-carbonitrile
CID 170435712
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
N-(6-chloro-3-pyridinyl)-6-[(3-methyl-1,1-dioxothietan-3-yl)methoxy]isoquinolin-1-amine
CID 170614575
2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480304
N-(6-chloro-3-pyridinyl)-6-(2-methoxyethoxy)isoquinolin-1-amine
CID 170435914
2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
[1-[(2-chloropyrimidin-5-yl)amino]isoquinolin-6-yl] hypofluorite
CID 170450675
N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine
CID 170435827
2-[1-[(4-methylsulfanylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493248
2-chloro-5-[[6-[(3-methyloxetan-3-yl)methoxy]isoquinolin-1-yl]amino]pyridine-3-carboxylic acid
CID 170435670

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile (CID 170614534) is 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile is Cc1ncc(Nc2nccc3cc(OCC4(CC#N)CC4)ccc23)cn1.
What is the InChIKey of 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is ZAHQEWFZAWUDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-23-11-16(12-24-14)25-19-18-3-2-17(10-15(18)4-9-22-19)26-13-20(5-6-20)7-8-21/h2-4,9-12H,5-7,13H2,1H3,(H,22,25).
What are the key properties of 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile?
2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 345.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 170614534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).