N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide

C11H17N5O2 — CID 136986741

IUPACN'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
SMILESCN(CC1CC(O)C1)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C11H17N5O2/c1-16(6-7-4-8(17)5-7)11-13-3-2-9(14-11)10(12)15-18/h2-3,7-8,17-18H,4-6H2,1H3,(H2,12,15)
InChIKeyMFZBCYCEXUNPEB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.22
Rot. Bonds4

About N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide

N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide (PubChem CID 136986741) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
PubChem CID136986741
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
SMILESCN(CC1CC(O)C1)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C11H17N5O2/c1-16(6-7-4-8(17)5-7)11-13-3-2-9(14-11)10(12)15-18/h2-3,7-8,17-18H,4-6H2,1H3,(H2,12,15)
InChIKeyMFZBCYCEXUNPEB-UHFFFAOYSA-N
XLogP-0.22
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906760
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906427
2-[methyl(oxan-4-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107547492
3-chloro-N'-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarboximidamide
CID 77108514
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550526
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906661
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide (CID 136986741) is N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide is CN(CC1CC(O)C1)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide?
The InChIKey is MFZBCYCEXUNPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-16(6-7-4-8(17)5-7)11-13-3-2-9(14-11)10(12)15-18/h2-3,7-8,17-18H,4-6H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136986741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).