N'-(methylamino)pyrimidine-5-carboximidamide

C6H9N5 — CID 67042368

IUPACN'-(methylamino)pyrimidine-5-carboximidamide
SMILESCNN=C(N)c1cncnc1
InChIInChI=1S/C6H9N5/c1-8-11-6(7)5-2-9-4-10-3-5/h2-4,8H,1H3,(H2,7,11)
InChIKeyPSDRNZSDZBSPGX-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.68
Rot. Bonds2

About N'-(methylamino)pyrimidine-5-carboximidamide

N'-(methylamino)pyrimidine-5-carboximidamide (PubChem CID 67042368) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is N'-(methylamino)pyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN'-(methylamino)pyrimidine-5-carboximidamide
PubChem CID67042368
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC NameN'-(methylamino)pyrimidine-5-carboximidamide
SMILESCNN=C(N)c1cncnc1
InChIInChI=1S/C6H9N5/c1-8-11-6(7)5-2-9-4-10-3-5/h2-4,8H,1H3,(H2,7,11)
InChIKeyPSDRNZSDZBSPGX-UHFFFAOYSA-N
XLogP-0.68
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(methylamino)pyrimidine-5-carboximidamide?
The IUPAC name of N'-(methylamino)pyrimidine-5-carboximidamide (CID 67042368) is N'-(methylamino)pyrimidine-5-carboximidamide.
What is the SMILES notation for N'-(methylamino)pyrimidine-5-carboximidamide?
The canonical SMILES for N'-(methylamino)pyrimidine-5-carboximidamide is CNN=C(N)c1cncnc1.
What is the InChIKey of N'-(methylamino)pyrimidine-5-carboximidamide?
The InChIKey is PSDRNZSDZBSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-8-11-6(7)5-2-9-4-10-3-5/h2-4,8H,1H3,(H2,7,11).
What are the key properties of N'-(methylamino)pyrimidine-5-carboximidamide?
N'-(methylamino)pyrimidine-5-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylamino)pyrimidine-5-carboximidamide is sourced from PubChem (CID 67042368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).