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

C11H10N6 — CID 115264796

IUPAC2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESN#CCNc1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C11H10N6/c12-3-6-14-10-7-11(16-8-15-10)17-9-1-4-13-5-2-9/h1-2,4-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKeyKCKXRRZSTHDOHI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.55
Rot. Bonds4

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

2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115264796) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
PubChem CID115264796
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESN#CCNc1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C11H10N6/c12-3-6-14-10-7-11(16-8-15-10)17-9-1-4-13-5-2-9/h1-2,4-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKeyKCKXRRZSTHDOHI-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

6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264794
2-[[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264833
2-[[6-(1,3-benzoxazol-6-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264789
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
2-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264778
2-[[6-(5-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]acetonitrile
CID 115264792
N-[4-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860976
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
4-N-(3-ethylsulfonylphenyl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 159359296
[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
CID 129090569
4-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112860865

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile (CID 115264796) is 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile is N#CCNc1cc(Nc2ccncc2)ncn1.
What is the InChIKey of 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is KCKXRRZSTHDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-3-6-14-10-7-11(16-8-15-10)17-9-1-4-13-5-2-9/h1-2,4-5,7-8H,6H2,(H2,13,14,15,16,17).
What are the key properties of 2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile?
2-[[6-(pyridin-4-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-4-ylamino)pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115264796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).