1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

C12H11F2N5O — CID 135473084

IUPAC1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2N5O/c1-6-4-10(20)18-12(16-6)19-11(15)17-9-3-2-7(13)5-8(9)14/h2-5H,1H3,(H4,15,16,17,18,19,20)
InChIKeyVMQSTBHKLHMKAV-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.41
Rot. Bonds2

About 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 135473084) has the molecular formula C12H11F2N5O and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID135473084
Molecular FormulaC12H11F2N5O
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H11F2N5O/c1-6-4-10(20)18-12(16-6)19-11(15)17-9-3-2-7(13)5-8(9)14/h2-5H,1H3,(H4,15,16,17,18,19,20)
InChIKeyVMQSTBHKLHMKAV-UHFFFAOYSA-N
XLogP1.41
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
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-bromophenyl)amino]-6-methyl-4(3H)-pyrimidinone
CID 135459599
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
N-(2,6-difluorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473113
2-[({[4-(Difluoromethylthio)phenyl]amino}iminomethyl)amino]-6-methylpyrimidin-4-ol
CID 135519904
N~4~-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 752538
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 135473084) is 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is VMQSTBHKLHMKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O/c1-6-4-10(20)18-12(16-6)19-11(15)17-9-3-2-7(13)5-8(9)14/h2-5H,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 279.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135473084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).