2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine

C18H24FN5O — CID 11551941

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
SMILESCCCCCOc1ccc(N/C(N)=N/c2nc(C)cc(C)n2)cc1F
InChIInChI=1S/C18H24FN5O/c1-4-5-6-9-25-16-8-7-14(11-15(16)19)23-17(20)24-18-21-12(2)10-13(3)22-18/h7-8,10-11H,4-6,9H2,1-3H3,(H3,20,21,22,23,24)
InChIKeyWVEWBBGQYYQENS-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.86
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine (PubChem CID 11551941) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
PubChem CID11551941
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
SMILESCCCCCOc1ccc(N/C(N)=N/c2nc(C)cc(C)n2)cc1F
InChIInChI=1S/C18H24FN5O/c1-4-5-6-9-25-16-8-7-14(11-15(16)19)23-17(20)24-18-21-12(2)10-13(3)22-18/h7-8,10-11H,4-6,9H2,1-3H3,(H3,20,21,22,23,24)
InChIKeyWVEWBBGQYYQENS-UHFFFAOYSA-N
XLogP3.86
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine
CID 58638829
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-pentylphenyl)guanidine
CID 58638776
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
CID 2268324
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
1-(4-ethoxy-3-fluorophenyl)-2-propylguanidine
CID 113399815
2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine
CID 58638853
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638819
1-(4-butyl-2-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11638181
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
1-(3-tert-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638812
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-pentoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide
CID 135516398
4-dodecoxy-3-fluoroaniline
CID 63404209

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine (CID 11551941) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine is CCCCCOc1ccc(N/C(N)=N/c2nc(C)cc(C)n2)cc1F.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine?
The InChIKey is WVEWBBGQYYQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-4-5-6-9-25-16-8-7-14(11-15(16)19)23-17(20)24-18-21-12(2)10-13(3)22-18/h7-8,10-11H,4-6,9H2,1-3H3,(H3,20,21,22,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine has a molecular weight of 345.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine is sourced from PubChem (CID 11551941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).