2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile

C17H14N6 — CID 3234751

IUPAC2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile
SMILESCc1cnc(CNc2ncncc2-c2ccccc2C#N)cn1
InChIInChI=1S/C17H14N6/c1-12-7-21-14(8-20-12)9-22-17-16(10-19-11-23-17)15-5-3-2-4-13(15)6-18/h2-5,7-8,10-11H,9H2,1H3,(H,19,22,23)
InChIKeyYIFJQOSOEFTEHM-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile

2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile (PubChem CID 3234751) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile
PubChem CID3234751
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile
SMILESCc1cnc(CNc2ncncc2-c2ccccc2C#N)cn1
InChIInChI=1S/C17H14N6/c1-12-7-21-14(8-20-12)9-22-17-16(10-19-11-23-17)15-5-3-2-4-13(15)6-18/h2-5,7-8,10-11H,9H2,1H3,(H,19,22,23)
InChIKeyYIFJQOSOEFTEHM-UHFFFAOYSA-N
XLogP2.73
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 82817712
5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 63673297
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
CID 62846098
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111
(5-methylpyrazin-2-yl)methylcyanamide
CID 62846273
2-(pyrimidin-4-ylmethylamino)benzonitrile
CID 62759502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile?
The IUPAC name of 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile (CID 3234751) is 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile.
What is the SMILES notation for 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile?
The canonical SMILES for 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile is Cc1cnc(CNc2ncncc2-c2ccccc2C#N)cn1.
What is the InChIKey of 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile?
The InChIKey is YIFJQOSOEFTEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-7-21-14(8-20-12)9-22-17-16(10-19-11-23-17)15-5-3-2-4-13(15)6-18/h2-5,7-8,10-11H,9H2,1H3,(H,19,22,23).
What are the key properties of 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile?
2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile has a molecular weight of 302.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile is sourced from PubChem (CID 3234751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).