2-(2-methylpyrimidin-4-yl)-1-phenylguanidine

C12H13N5 — CID 70039227

IUPAC2-(2-methylpyrimidin-4-yl)-1-phenylguanidine
SMILESCc1nccc(/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C12H13N5/c1-9-14-8-7-11(15-9)17-12(13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H3,13,14,15,16,17)
InChIKeyXXKSHQZIMBAAHG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.84
Rot. Bonds2

About 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine

2-(2-methylpyrimidin-4-yl)-1-phenylguanidine (PubChem CID 70039227) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-1-phenylguanidine
PubChem CID70039227
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-(2-methylpyrimidin-4-yl)-1-phenylguanidine
SMILESCc1nccc(/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C12H13N5/c1-9-14-8-7-11(15-9)17-12(13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H3,13,14,15,16,17)
InChIKeyXXKSHQZIMBAAHG-UHFFFAOYSA-N
XLogP1.84
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.84
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-(1H-imidazol-2-yl)-1-phenylguanidine
CID 91182432
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
1-phenyl-2-[3-(trifluoromethyl)-2-pyridinyl]guanidine
CID 57000219
ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine
CID 54314128
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
CID 58638844
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
CID 71395305
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine (CID 70039227) is 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine is Cc1nccc(/N=C(\N)Nc2ccccc2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine?
The InChIKey is XXKSHQZIMBAAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-9-14-8-7-11(15-9)17-12(13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine?
2-(2-methylpyrimidin-4-yl)-1-phenylguanidine has a molecular weight of 227.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-1-phenylguanidine is sourced from PubChem (CID 70039227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).