2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine

C15H25N7O2 — CID 110927938

IUPAC2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
SMILESCOCC/N=C(\N)NCCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N7O2/c1-24-12-7-18-14(16)17-6-3-13(23)21-8-10-22(11-9-21)15-19-4-2-5-20-15/h2,4-5H,3,6-12H2,1H3,(H3,16,17,18)
InChIKeySZLUULXVUXJCTK-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.93
Rot. Bonds7

About 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine

2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine (PubChem CID 110927938) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
PubChem CID110927938
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
SMILESCOCC/N=C(\N)NCCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N7O2/c1-24-12-7-18-14(16)17-6-3-13(23)21-8-10-22(11-9-21)15-19-4-2-5-20-15/h2,4-5H,3,6-12H2,1H3,(H3,16,17,18)
InChIKeySZLUULXVUXJCTK-UHFFFAOYSA-N
XLogP-0.93
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111095916
2-(3-methylbutyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111092171
2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927943
1-(4-methylphenyl)-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111095879
2-(3-butoxypropyl)-1-ethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111238806
N-(3-methoxypropyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943296
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
1,2-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110927945
2-(cyclopropylmethyl)-1-ethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111868396
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111606006
1-(3-ethoxypropyl)-2-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111224993
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111246989

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine (CID 110927938) is 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine is COCC/N=C(\N)NCCC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine?
The InChIKey is SZLUULXVUXJCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-24-12-7-18-14(16)17-6-3-13(23)21-8-10-22(11-9-21)15-19-4-2-5-20-15/h2,4-5H,3,6-12H2,1H3,(H3,16,17,18).
What are the key properties of 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine?
2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine has a molecular weight of 335.41 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 110927938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).