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

C14H15F2N5O — CID 135473153

IUPAC1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
SMILESCCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H15F2N5O/c1-2-3-9-7-12(22)20-14(18-9)21-13(17)19-11-5-4-8(15)6-10(11)16/h4-7H,2-3H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyXYDGUJRZYALOKJ-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.06
Rot. Bonds4

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

1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine (PubChem CID 135473153) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
PubChem CID135473153
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
SMILESCCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C14H15F2N5O/c1-2-3-9-7-12(22)20-14(18-9)21-13(17)19-11-5-4-8(15)6-10(11)16/h4-7H,2-3H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyXYDGUJRZYALOKJ-UHFFFAOYSA-N
XLogP2.06
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.06
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-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-chlorophenyl)amino)-6-methylpyrimidin-4(3H)-one
CID 135488566

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine (CID 135473153) is 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine is CCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
The InChIKey is XYDGUJRZYALOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c1-2-3-9-7-12(22)20-14(18-9)21-13(17)19-11-5-4-8(15)6-10(11)16/h4-7H,2-3H2,1H3,(H4,17,18,19,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
1-(2,4-difluorophenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine has a molecular weight of 307.30 g/mol, XLogP of 2.06, 4 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-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135473153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).