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

C20H21N5O2 — CID 135883199

IUPAC2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
SMILESCCCc1cc(=O)[nH]c(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H21N5O2/c1-2-6-15-13-18(26)24-20(23-15)25-19(21)22-14-9-11-17(12-10-14)27-16-7-4-3-5-8-16/h3-5,7-13H,2,6H2,1H3,(H4,21,22,23,24,25,26)
InChIKeyWYPFDDVKTYZYNW-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.57
Rot. Bonds6

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

2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine (PubChem CID 135883199) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
PubChem CID135883199
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
SMILESCCCc1cc(=O)[nH]c(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H21N5O2/c1-2-6-15-13-18(26)24-20(23-15)25-19(21)22-14-9-11-17(12-10-14)27-16-7-4-3-5-8-16/h3-5,7-13H,2,6H2,1H3,(H4,21,22,23,24,25,26)
InChIKeyWYPFDDVKTYZYNW-UHFFFAOYSA-N
XLogP3.57
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The IUPAC name of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine (CID 135883199) is 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The canonical SMILES for 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine is CCCc1cc(=O)[nH]c(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The InChIKey is WYPFDDVKTYZYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-6-15-13-18(26)24-20(23-15)25-19(21)22-14-9-11-17(12-10-14)27-16-7-4-3-5-8-16/h3-5,7-13H,2,6H2,1H3,(H4,21,22,23,24,25,26).
What are the key properties of 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine has a molecular weight of 363.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine is sourced from PubChem (CID 135883199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).