6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride

C6H6Cl2N4 — CID 89091857

IUPAC6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1ncnc(Cl)c1NC
InChIInChI=1S/C6H6Cl2N4/c1-10-4-3(5(7)9)11-2-12-6(4)8/h2,9-10H,1H3/b9-5-
InChIKeyMPTNDHWVVDTIFD-UITAMQMPSA-N
MW205.05 g/mol
LogP1.74
Rot. Bonds2

About 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride

6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride (PubChem CID 89091857) has the molecular formula C6H6Cl2N4 and a molecular weight of 205.05 g/mol. Its IUPAC name is 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride.

Molecular Properties

Compound Name6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride
PubChem CID89091857
Molecular FormulaC6H6Cl2N4
Molecular Weight205.05 g/mol
Exact Mass204.00
IUPAC Name6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1ncnc(Cl)c1NC
InChIInChI=1S/C6H6Cl2N4/c1-10-4-3(5(7)9)11-2-12-6(4)8/h2,9-10H,1H3/b9-5-
InChIKeyMPTNDHWVVDTIFD-UITAMQMPSA-N
XLogP1.74
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-methylpyrimidin-5-amine
CID 14665971
4,6-Dichloro-N-methylpyrimidin-5-amine
CID 250274
N4,6-Dimethyl-4,5-pyrimidinediamine
CID 12212194
N5,6-dimethylpyrimidine-4,5-diamine
CID 45080466
4-chloro-N-fluoro-N,6-dimethylpyrimidin-5-amine
CID 145504691
1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine
CID 163623613
2-Hydroxyiminomethyleneamino-6-chloro-4-methylpyrimidine
CID 129707971
4-Chloro-6-(difluoromethyl)pyrimidin-5-amine
CID 99981311
4-Chloro-6-(trifluoromethyl)pyrimidin-5-amine
CID 131010944
4,5-Dichloro-6-methylpyrimidine
CID 11789537
N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide
CID 23378924
5-Chloro-6-methylpyrimidin-4-amine
CID 43829403

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride?
The IUPAC name of 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride (CID 89091857) is 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride.
What is the SMILES notation for 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride?
The canonical SMILES for 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride is [H]/N=C(\Cl)c1ncnc(Cl)c1NC.
What is the InChIKey of 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride?
The InChIKey is MPTNDHWVVDTIFD-UITAMQMPSA-N. The full InChI is InChI=1S/C6H6Cl2N4/c1-10-4-3(5(7)9)11-2-12-6(4)8/h2,9-10H,1H3/b9-5-.
What are the key properties of 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride?
6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride has a molecular weight of 205.05 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(methylamino)pyrimidine-4-carboximidoyl chloride is sourced from PubChem (CID 89091857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).