3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide

C20H25N7O2 — CID 161222794

IUPAC3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(NCCN3CCNC3=O)nc2)c1
InChIInChI=1S/C20H25N7O2/c21-18(22)11-17(28)5-4-14-2-1-3-15(10-14)16-12-25-19(26-13-16)23-6-8-27-9-7-24-20(27)29/h1-3,10,12-13H,4-9,11H2,(H3,21,22)(H,24,29)(H,23,25,26)
InChIKeyUXSWVVSCJYKUIB-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.41
Rot. Bonds10

About 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide

3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide (PubChem CID 161222794) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide.

Molecular Properties

Compound Name3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide
PubChem CID161222794
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(NCCN3CCNC3=O)nc2)c1
InChIInChI=1S/C20H25N7O2/c21-18(22)11-17(28)5-4-14-2-1-3-15(10-14)16-12-25-19(26-13-16)23-6-8-27-9-7-24-20(27)29/h1-3,10,12-13H,4-9,11H2,(H3,21,22)(H,24,29)(H,23,25,26)
InChIKeyUXSWVVSCJYKUIB-UHFFFAOYSA-N
XLogP1.41
TPSA137.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide?
The IUPAC name of 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide (CID 161222794) is 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide.
What is the SMILES notation for 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide?
The canonical SMILES for 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide is [H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(NCCN3CCNC3=O)nc2)c1.
What is the InChIKey of 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide?
The InChIKey is UXSWVVSCJYKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c21-18(22)11-17(28)5-4-14-2-1-3-15(10-14)16-12-25-19(26-13-16)23-6-8-27-9-7-24-20(27)29/h1-3,10,12-13H,4-9,11H2,(H3,21,22)(H,24,29)(H,23,25,26).
What are the key properties of 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide?
3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide has a molecular weight of 395.47 g/mol, XLogP of 1.41, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide is sourced from PubChem (CID 161222794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).