2,4,6-triaminopyrimidine-5-carbonitrile

C5H6N6 — CID 46835388

IUPAC2,4,6-triaminopyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1N
InChIInChI=1S/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11)
InChIKeyOXBKPLFFXBNIHW-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.91
Rot. Bonds

About 2,4,6-triaminopyrimidine-5-carbonitrile

2,4,6-triaminopyrimidine-5-carbonitrile (PubChem CID 46835388) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is 2,4,6-triaminopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4,6-triaminopyrimidine-5-carbonitrile
PubChem CID46835388
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name2,4,6-triaminopyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1N
InChIInChI=1S/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11)
InChIKeyOXBKPLFFXBNIHW-UHFFFAOYSA-N
XLogP-0.91
TPSA127.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triaminopyrimidine-5-carbonitrile?
The IUPAC name of 2,4,6-triaminopyrimidine-5-carbonitrile (CID 46835388) is 2,4,6-triaminopyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4,6-triaminopyrimidine-5-carbonitrile?
The canonical SMILES for 2,4,6-triaminopyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1N.
What is the InChIKey of 2,4,6-triaminopyrimidine-5-carbonitrile?
The InChIKey is OXBKPLFFXBNIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11).
What are the key properties of 2,4,6-triaminopyrimidine-5-carbonitrile?
2,4,6-triaminopyrimidine-5-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triaminopyrimidine-5-carbonitrile is sourced from PubChem (CID 46835388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).