4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide

C11H11N7 — CID 19988637

IUPAC4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccnc(/C(N)=N/[H])n2)n1
InChIInChI=1S/C11H11N7/c12-9(13)8-3-1-2-6(17-8)7-4-5-16-11(18-7)10(14)15/h1-5H,(H3,12,13)(H3,14,15)
InChIKeySEVNIWSTWRDQBY-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.11
Rot. Bonds3

About 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide

4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide (PubChem CID 19988637) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide
PubChem CID19988637
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccnc(/C(N)=N/[H])n2)n1
InChIInChI=1S/C11H11N7/c12-9(13)8-3-1-2-6(17-8)7-4-5-16-11(18-7)10(14)15/h1-5H,(H3,12,13)(H3,14,15)
InChIKeySEVNIWSTWRDQBY-UHFFFAOYSA-N
XLogP0.11
TPSA138.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide?
The IUPAC name of 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide (CID 19988637) is 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide.
What is the SMILES notation for 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide?
The canonical SMILES for 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide is [H]/N=C(\N)c1cccc(-c2ccnc(/C(N)=N/[H])n2)n1.
What is the InChIKey of 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide?
The InChIKey is SEVNIWSTWRDQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c12-9(13)8-3-1-2-6(17-8)7-4-5-16-11(18-7)10(14)15/h1-5H,(H3,12,13)(H3,14,15).
What are the key properties of 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide?
4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide has a molecular weight of 241.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carbamimidoyl-2-pyridinyl)pyrimidine-2-carboximidamide is sourced from PubChem (CID 19988637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).