2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide

C12H11ClN4O — CID 107550822

IUPAC2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN4O/c1-7-6-10(11(14)15)17-12(16-7)18-9-4-2-8(13)3-5-9/h2-6H,1H3,(H3,14,15)
InChIKeySPNVMEJTUQKYCV-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide

2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550822) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550822
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN4O/c1-7-6-10(11(14)15)17-12(16-7)18-9-4-2-8(13)3-5-9/h2-6H,1H3,(H3,14,15)
InChIKeySPNVMEJTUQKYCV-UHFFFAOYSA-N
XLogP2.51
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.51
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-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551733
6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
CID 107551174
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide (CID 107550822) is 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is SPNVMEJTUQKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-6-10(11(14)15)17-12(16-7)18-9-4-2-8(13)3-5-9/h2-6H,1H3,(H3,14,15).
What are the key properties of 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide?
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 262.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).