2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide

C13H13ClN4O — CID 107550871

IUPAC2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-8-6-11(12(15)16)18-13(17-8)19-7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H3,15,16)
InChIKeyNTLXUDKEWKZSFB-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.30
Rot. Bonds4

About 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide

2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550871) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550871
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-8-6-11(12(15)16)18-13(17-8)19-7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H3,15,16)
InChIKeyNTLXUDKEWKZSFB-UHFFFAOYSA-N
XLogP2.30
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.30
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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Related Compounds

2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
2-[(2-chlorophenyl)methoxy]pyridine-4-carboximidamide
CID 24709387
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 62685766
6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboximidamide
CID 107551838
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550456
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide (CID 107550871) is 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(OCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is NTLXUDKEWKZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-6-11(12(15)16)18-13(17-8)19-7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H3,15,16).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide?
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 276.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).