4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine

C6H7ClN4 — CID 89382615

IUPAC4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine
SMILES[H]/N=C/c1ncnc(Cl)c1NC
InChIInChI=1S/C6H7ClN4/c1-9-5-4(2-8)10-3-11-6(5)7/h2-3,8-9H,1H3/b8-2+
InChIKeyAOKRLICSSPKJFD-KRXBUXKQSA-N
MW170.60 g/mol
LogP1.17
Rot. Bonds2

About 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine

4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine (PubChem CID 89382615) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine
PubChem CID89382615
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine
SMILES[H]/N=C/c1ncnc(Cl)c1NC
InChIInChI=1S/C6H7ClN4/c1-9-5-4(2-8)10-3-11-6(5)7/h2-3,8-9H,1H3/b8-2+
InChIKeyAOKRLICSSPKJFD-KRXBUXKQSA-N
XLogP1.17
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine (CID 89382615) is 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine is [H]/N=C/c1ncnc(Cl)c1NC.
What is the InChIKey of 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine?
The InChIKey is AOKRLICSSPKJFD-KRXBUXKQSA-N. The full InChI is InChI=1S/C6H7ClN4/c1-9-5-4(2-8)10-3-11-6(5)7/h2-3,8-9H,1H3/b8-2+.
What are the key properties of 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine?
4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine has a molecular weight of 170.60 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methanimidoyl-N-methylpyrimidin-5-amine is sourced from PubChem (CID 89382615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).