2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile

C11H10N6 — CID 115264794

IUPAC2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESN#CCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C11H10N6/c12-4-6-14-10-7-11(16-8-15-10)17-9-3-1-2-5-13-9/h1-3,5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKeyDOBCDAXYTALVLG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.55
Rot. Bonds4

About 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile

2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115264794) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
PubChem CID115264794
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESN#CCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C11H10N6/c12-4-6-14-10-7-11(16-8-15-10)17-9-3-1-2-5-13-9/h1-3,5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKeyDOBCDAXYTALVLG-UHFFFAOYSA-N
XLogP1.55
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115263939
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 122314104
2-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264778
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-[[6-(5-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]acetonitrile
CID 115264792
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 71800128
6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 159704122
2-[[6-(1,3-benzoxazol-6-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264789

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile (CID 115264794) is 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile is N#CCNc1cc(Nc2ccccn2)ncn1.
What is the InChIKey of 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is DOBCDAXYTALVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-4-6-14-10-7-11(16-8-15-10)17-9-3-1-2-5-13-9/h1-3,5,7-8H,6H2,(H2,13,14,15,16,17).
What are the key properties of 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile?
2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115264794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).