2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine

C14H17N5 — CID 2864540

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
SMILESCc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H17N5/c1-9-4-6-12(7-5-9)18-13(15)19-14-16-10(2)8-11(3)17-14/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKeyYMOMRKDJDHSPHJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.46
Rot. Bonds2

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine (PubChem CID 2864540) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
PubChem CID2864540
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
SMILESCc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H17N5/c1-9-4-6-12(7-5-9)18-13(15)19-14-16-10(2)8-11(3)17-14/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKeyYMOMRKDJDHSPHJ-UHFFFAOYSA-N
XLogP2.46
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
CID 2873992
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
CID 85039824
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-pentylphenyl)guanidine
CID 58638776
1-(3-tert-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638812
propan-2-yl 2-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate
CID 2926873
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
CID 2886994
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543
1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638806
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
CID 11551941
1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine
CID 75041890
2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine
CID 58638829

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine (CID 2864540) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine is Cc1ccc(NC(N)=Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine?
The InChIKey is YMOMRKDJDHSPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-4-6-12(7-5-9)18-13(15)19-14-16-10(2)8-11(3)17-14/h4-8H,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine has a molecular weight of 255.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 2864540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).