4-aminopyrimidine-5-carbonitrile

C5H4N4 — CID 737208

IUPAC4-aminopyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1N
InChIInChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChIKeyJAIYUIOGVNRXEW-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.07
Rot. Bonds

About 4-aminopyrimidine-5-carbonitrile

4-aminopyrimidine-5-carbonitrile (PubChem CID 737208) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 4-aminopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-aminopyrimidine-5-carbonitrile
PubChem CID737208
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name4-aminopyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1N
InChIInChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChIKeyJAIYUIOGVNRXEW-UHFFFAOYSA-N
XLogP-0.07
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrimidine-5-carbonitrile?
The IUPAC name of 4-aminopyrimidine-5-carbonitrile (CID 737208) is 4-aminopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-aminopyrimidine-5-carbonitrile?
The canonical SMILES for 4-aminopyrimidine-5-carbonitrile is N#Cc1cncnc1N.
What is the InChIKey of 4-aminopyrimidine-5-carbonitrile?
The InChIKey is JAIYUIOGVNRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9).
What are the key properties of 4-aminopyrimidine-5-carbonitrile?
4-aminopyrimidine-5-carbonitrile has a molecular weight of 120.11 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrimidine-5-carbonitrile is sourced from PubChem (CID 737208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).