2-(5-aminopyrimidin-4-yl)acetonitrile

C6H6N4 — CID 84762390

IUPAC2-(5-aminopyrimidin-4-yl)acetonitrile
SMILESN#CCc1ncncc1N
InChIInChI=1S/C6H6N4/c7-2-1-6-5(8)3-9-4-10-6/h3-4H,1,8H2
InChIKeyXPTQATPMSWSEDW-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.12
Rot. Bonds1

About 2-(5-aminopyrimidin-4-yl)acetonitrile

2-(5-aminopyrimidin-4-yl)acetonitrile (PubChem CID 84762390) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-(5-aminopyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-aminopyrimidin-4-yl)acetonitrile
PubChem CID84762390
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2-(5-aminopyrimidin-4-yl)acetonitrile
SMILESN#CCc1ncncc1N
InChIInChI=1S/C6H6N4/c7-2-1-6-5(8)3-9-4-10-6/h3-4H,1,8H2
InChIKeyXPTQATPMSWSEDW-UHFFFAOYSA-N
XLogP0.12
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(5-aminopyrimidin-4-yl)acetonitrile (CID 84762390) is 2-(5-aminopyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-aminopyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(5-aminopyrimidin-4-yl)acetonitrile is N#CCc1ncncc1N.
What is the InChIKey of 2-(5-aminopyrimidin-4-yl)acetonitrile?
The InChIKey is XPTQATPMSWSEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-2-1-6-5(8)3-9-4-10-6/h3-4H,1,8H2.
What are the key properties of 2-(5-aminopyrimidin-4-yl)acetonitrile?
2-(5-aminopyrimidin-4-yl)acetonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 84762390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).