1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide

C13H20N6O — CID 2893890

IUPAC1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N=C(N)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H20N6O/c1-8-7-9(2)17-13(16-8)18-12(15)19-5-3-10(4-6-19)11(14)20/h7,10H,3-6H2,1-2H3,(H2,14,20)(H2,15,16,17,18)
InChIKeyZKJZUIQIVLXSKN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.24
Rot. Bonds2

About 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide

1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide (PubChem CID 2893890) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
PubChem CID2893890
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N=C(N)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H20N6O/c1-8-7-9(2)17-13(16-8)18-12(15)19-5-3-10(4-6-19)11(14)20/h7,10H,3-6H2,1-2H3,(H2,14,20)(H2,15,16,17,18)
InChIKeyZKJZUIQIVLXSKN-UHFFFAOYSA-N
XLogP0.24
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide (CID 2893890) is 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide is Cc1cc(C)nc(N=C(N)N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
The InChIKey is ZKJZUIQIVLXSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8-7-9(2)17-13(16-8)18-12(15)19-5-3-10(4-6-19)11(14)20/h7,10H,3-6H2,1-2H3,(H2,14,20)(H2,15,16,17,18).
What are the key properties of 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2893890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).