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

C13H14FN5O2 — CID 135490148

IUPAC1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-8(14)3-5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyMJKVKOKYYKKMPU-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.11
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (PubChem CID 135490148) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
PubChem CID135490148
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-8(14)3-5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyMJKVKOKYYKKMPU-UHFFFAOYSA-N
XLogP1.11
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.11
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
N-(2,6-difluorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473113
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
2-Phenylamino-6-trifluoromethyl-pyrimidin-4-ol
CID 135727209
1-(3-Chlorophenyl)-3-(4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl)guanidine
CID 135460614
2-(2,4-Dimethylphenyl)-1-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]guanidine
CID 135433344

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (CID 135490148) is 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The InChIKey is MJKVKOKYYKKMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-8(14)3-5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine has a molecular weight of 291.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is sourced from PubChem (CID 135490148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).