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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Related Compounds

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyrimidin-5-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895816
N-(cyanomethyl)-4-methyl-2-[3-(pyrimidin-5-yl)phenyl]pentanamide
CID 10902914
4-Phenyl-1-{(S)-2-[(S)-2-(pyrimidine-5-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-butan-1-one
CID 10002226
N-{[1-(3-phenylpropanoyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109399
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-3-carboxamide
CID 44589486
(S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)-3-(piperidin-1-yl)propanamide
CID 44589523
N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 3233229
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(phenylmethyl)-2-piperidineacetamide
CID 16115341
(R)-3-amino-1-((S)-2-((pyrimidin-2-ylamino)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45267531
(R)-3-amino-1-((S)-2-((5-fluoropyrimidin-2-ylamino)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45270108
(R)-3-amino-1-((S)-2-((4-(trifluoromethyl)pyrimidin-2-ylamino)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45271794
2-amino-N-[[3-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl]-N-methylacetamide
CID 68106560

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).