2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine

C15H19N5O2 — CID 135643262

IUPAC2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
SMILESCCOc1ccc(N/C(N)=N/c2nc(C)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C15H19N5O2/c1-4-22-12-7-5-11(6-8-12)18-14(16)20-15-17-10(3)9(2)13(21)19-15/h5-8H,4H2,1-3H3,(H4,16,17,18,19,20,21)
InChIKeyAWBPXODYFTUSHX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.84
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine

2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine (PubChem CID 135643262) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
PubChem CID135643262
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
SMILESCCOc1ccc(N/C(N)=N/c2nc(C)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C15H19N5O2/c1-4-22-12-7-5-11(6-8-12)18-14(16)20-15-17-10(3)9(2)13(21)19-15/h5-8H,4H2,1-3H3,(H4,16,17,18,19,20,21)
InChIKeyAWBPXODYFTUSHX-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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

2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
CID 135802191
1-(4-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
1-(4-ethoxyphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 137296745
1-(3-chlorophenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135486398
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine
CID 135630390
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
2-[(4S)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 30465662
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135883199
1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
CID 90644712
2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
CID 135994268

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine?
The IUPAC name of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine (CID 135643262) is 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine?
The canonical SMILES for 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine is CCOc1ccc(N/C(N)=N/c2nc(C)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine?
The InChIKey is AWBPXODYFTUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-4-22-12-7-5-11(6-8-12)18-14(16)20-15-17-10(3)9(2)13(21)19-15/h5-8H,4H2,1-3H3,(H4,16,17,18,19,20,21).
What are the key properties of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine?
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine has a molecular weight of 301.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine is sourced from PubChem (CID 135643262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).