N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide

C12H21N5O — CID 136906598

IUPACN'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
SMILESCC(C)CN(c1nccc(/C(N)=N/O)n1)C(C)C
InChIInChI=1S/C12H21N5O/c1-8(2)7-17(9(3)4)12-14-6-5-10(15-12)11(13)16-18/h5-6,8-9,18H,7H2,1-4H3,(H2,13,16)
InChIKeyAEZBKLSDYCSTDG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.44
Rot. Bonds5

About N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide

N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide (PubChem CID 136906598) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
PubChem CID136906598
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
SMILESCC(C)CN(c1nccc(/C(N)=N/O)n1)C(C)C
InChIInChI=1S/C12H21N5O/c1-8(2)7-17(9(3)4)12-14-6-5-10(15-12)11(13)16-18/h5-6,8-9,18H,7H2,1-4H3,(H2,13,16)
InChIKeyAEZBKLSDYCSTDG-UHFFFAOYSA-N
XLogP1.44
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.44
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906427
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 136907412
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906661
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
N'-hydroxy-6-methyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboximidamide
CID 136635931
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
CID 136906918

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide (CID 136906598) is N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide is CC(C)CN(c1nccc(/C(N)=N/O)n1)C(C)C.
What is the InChIKey of N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
The InChIKey is AEZBKLSDYCSTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)7-17(9(3)4)12-14-6-5-10(15-12)11(13)16-18/h5-6,8-9,18H,7H2,1-4H3,(H2,13,16).
What are the key properties of N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide has a molecular weight of 251.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).