1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine

C13H13F2N5O2 — CID 135473113

IUPAC1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2c(F)cccc2F)n1
InChIInChI=1S/C13H13F2N5O2/c1-22-6-7-5-10(21)18-13(17-7)20-12(16)19-11-8(14)3-2-4-9(11)15/h2-5H,6H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyFMLZAWVULLUWJZ-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.25
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine

1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (PubChem CID 135473113) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
PubChem CID135473113
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2c(F)cccc2F)n1
InChIInChI=1S/C13H13F2N5O2/c1-22-6-7-5-10(21)18-13(17-7)20-12(16)19-11-8(14)3-2-4-9(11)15/h2-5H,6H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyFMLZAWVULLUWJZ-UHFFFAOYSA-N
XLogP1.25
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
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

N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
2-[(3-fluorophenyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135459606
2-[6-(Methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-1-(4-methylphenyl)guanidine
CID 135473118
1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135452283
N-[6-(methoxymethyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]-N''-(3-methylphenyl)guanidine
CID 135481555
2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135567364
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-fluorophenyl)guanidine
CID 135497560
1-(4-Fluorophenyl)-3-(4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl)guanidine
CID 135490148
2-Phenylamino-6-trifluoromethyl-pyrimidin-4-ol
CID 135727209
1-(3-Chlorophenyl)-3-(4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl)guanidine
CID 135460614
1-(4-Oxo-6-propyl-1,4-dihydropyrimidin-2-yl)-3-phenylguanidine
CID 135485465

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (CID 135473113) is 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is COCc1cc(=O)[nH]c(/N=C(\N)Nc2c(F)cccc2F)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The InChIKey is FMLZAWVULLUWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c1-22-6-7-5-10(21)18-13(17-7)20-12(16)19-11-8(14)3-2-4-9(11)15/h2-5H,6H2,1H3,(H4,16,17,18,19,20,21).
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine has a molecular weight of 309.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is sourced from PubChem (CID 135473113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).