4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile

C14H9N7 — CID 138554948

IUPAC4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(-c2ccncn2)nc1-c1ccncn1
InChIInChI=1S/C14H9N7/c15-6-9-10(16)5-13(11-1-3-17-7-19-11)21-14(9)12-2-4-18-8-20-12/h1-5,7-8H,(H2,16,21)
InChIKeyRSNNZQBMABHUNK-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.45
Rot. Bonds2

About 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile

4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile (PubChem CID 138554948) has the molecular formula C14H9N7 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile
PubChem CID138554948
Molecular FormulaC14H9N7
Molecular Weight275.28 g/mol
Exact Mass275.09
IUPAC Name4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(-c2ccncn2)nc1-c1ccncn1
InChIInChI=1S/C14H9N7/c15-6-9-10(16)5-13(11-1-3-17-7-19-11)21-14(9)12-2-4-18-8-20-12/h1-5,7-8H,(H2,16,21)
InChIKeyRSNNZQBMABHUNK-UHFFFAOYSA-N
XLogP1.45
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile (CID 138554948) is 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile is N#Cc1c(N)cc(-c2ccncn2)nc1-c1ccncn1.
What is the InChIKey of 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile?
The InChIKey is RSNNZQBMABHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7/c15-6-9-10(16)5-13(11-1-3-17-7-19-11)21-14(9)12-2-4-18-8-20-12/h1-5,7-8H,(H2,16,21).
What are the key properties of 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile?
4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile has a molecular weight of 275.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-di(pyrimidin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 138554948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).