N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C13H20N6O — CID 122098254

IUPACN'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\C1CC(O)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N6O/c14-12(17-10-8-11(20)9-10)18-4-6-19(7-5-18)13-15-2-1-3-16-13/h1-3,10-11,20H,4-9H2,(H2,14,17)
InChIKeyMKKORLGORPXWER-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.56
Rot. Bonds2

About N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 122098254) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID122098254
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\C1CC(O)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N6O/c14-12(17-10-8-11(20)9-10)18-4-6-19(7-5-18)13-15-2-1-3-16-13/h1-3,10-11,20H,4-9H2,(H2,14,17)
InChIKeyMKKORLGORPXWER-UHFFFAOYSA-N
XLogP-0.56
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 62362264
4-pyrimidin-2-yl-N'-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 120671406
4-pyrimidin-2-yl-N'-spiro[3.4]octan-3-ylpiperazine-1-carboximidamide;hydroiodide
CID 120514421
N'-(2-bicyclo[2.2.1]heptanylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120739
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119119557
N'-[[(2R)-oxolan-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097338
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[(1-methylsulfanylcyclopropyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120605910
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
4-pyrimidin-2-yl-N'-(quinolin-8-ylmethyl)piperazine-1-carboximidamide
CID 119120834
N'-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122098681
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119120527

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 122098254) is N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\C1CC(O)C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is MKKORLGORPXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c14-12(17-10-8-11(20)9-10)18-4-6-19(7-5-18)13-15-2-1-3-16-13/h1-3,10-11,20H,4-9H2,(H2,14,17).
What are the key properties of N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 276.34 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 122098254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).