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

C15H19N5O2 — CID 135433344

IUPAC1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2C)n1
InChIInChI=1S/C15H19N5O2/c1-9-4-5-12(10(2)6-9)18-14(16)20-15-17-11(8-22-3)7-13(21)19-15/h4-7H,8H2,1-3H3,(H4,16,17,18,19,20,21)
InChIKeyDIQXSQBRJVYNJI-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (PubChem CID 135433344) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
PubChem CID135433344
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2C)n1
InChIInChI=1S/C15H19N5O2/c1-9-4-5-12(10(2)6-9)18-14(16)20-15-17-11(8-22-3)7-13(21)19-15/h4-7H,8H2,1-3H3,(H4,16,17,18,19,20,21)
InChIKeyDIQXSQBRJVYNJI-UHFFFAOYSA-N
XLogP1.59
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
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

6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
2-[(4-butylphenyl)amino]-6-propyl-4(3H)-pyrimidinone
CID 135509364
N-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)phenyl]acetamide
CID 136245108
2-[6-(Methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-1-(4-methylphenyl)guanidine
CID 135473118
N-[6-(methoxymethyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]-N''-(3-methylphenyl)guanidine
CID 135481555
methyl {2-[N'-(4-methylphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
CID 135473416
2-Amino-5-ethyl-6-(o-tolylamino)pyrimidin-4(1H)-one
CID 135408562
1-(4-Fluorophenyl)-3-(4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl)guanidine
CID 135490148
ethyl {2-[N'-(2,4-dimethylphenyl)carbamimidamido]-6-hydroxypyrimidin-4-yl}acetate
CID 135466646
1-(2,4-Dimethylphenyl)-3-(4-oxo-1,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine
CID 135473417
methyl {2-[N'-(2-methylphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
CID 135473403
methyl {2-[N'-(2,4-dimethylphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
CID 135449233

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (CID 135433344) is 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2C)n1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The InChIKey is DIQXSQBRJVYNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-4-5-12(10(2)6-9)18-14(16)20-15-17-11(8-22-3)7-13(21)19-15/h4-7H,8H2,1-3H3,(H4,16,17,18,19,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine has a molecular weight of 301.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is sourced from PubChem (CID 135433344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).