2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile

C10H7N5 — CID 141441581

IUPAC2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccncc2)nc1
InChIInChI=1S/C10H7N5/c11-5-8-6-13-10(14-7-8)15-9-1-3-12-4-2-9/h1-4,6-7H,(H,12,13,14,15)
InChIKeyPGZOOFJMMHGLNK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.49
Rot. Bonds2

About 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile

2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile (PubChem CID 141441581) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
PubChem CID141441581
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccncc2)nc1
InChIInChI=1S/C10H7N5/c11-5-8-6-13-10(14-7-8)15-9-1-3-12-4-2-9/h1-4,6-7H,(H,12,13,14,15)
InChIKeyPGZOOFJMMHGLNK-UHFFFAOYSA-N
XLogP1.49
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile (CID 141441581) is 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccncc2)nc1.
What is the InChIKey of 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is PGZOOFJMMHGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c11-5-8-6-13-10(14-7-8)15-9-1-3-12-4-2-9/h1-4,6-7H,(H,12,13,14,15).
What are the key properties of 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 197.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 141441581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).