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

C12H12FN5O — CID 135482467

IUPAC1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN5O/c1-7-6-10(19)17-12(15-7)18-11(14)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H4,14,15,16,17,18,19)
InChIKeyRGHDYJOLJODHCK-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.28
Rot. Bonds2

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

1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 135482467) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID135482467
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN5O/c1-7-6-10(19)17-12(15-7)18-11(14)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H4,14,15,16,17,18,19)
InChIKeyRGHDYJOLJODHCK-UHFFFAOYSA-N
XLogP1.28
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.28
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'}

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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
1-(4-Fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 433474
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
3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 135482467) is 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is RGHDYJOLJODHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-7-6-10(19)17-12(15-7)18-11(14)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 261.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135482467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).