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

C13H23N5O — CID 136906590

IUPACN'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
SMILESCCCCCN(c1nccc(/C(N)=N/O)n1)C(C)C
InChIInChI=1S/C13H23N5O/c1-4-5-6-9-18(10(2)3)13-15-8-7-11(16-13)12(14)17-19/h7-8,10,19H,4-6,9H2,1-3H3,(H2,14,17)
InChIKeyBJJBFHHFVJSPNJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds7

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

N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide (PubChem CID 136906590) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
PubChem CID136906590
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
SMILESCCCCCN(c1nccc(/C(N)=N/O)n1)C(C)C
InChIInChI=1S/C13H23N5O/c1-4-5-6-9-18(10(2)3)13-15-8-7-11(16-13)12(14)17-19/h7-8,10,19H,4-6,9H2,1-3H3,(H2,14,17)
InChIKeyBJJBFHHFVJSPNJ-UHFFFAOYSA-N
XLogP1.98
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 137013492
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906661
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 136907412
N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide
CID 55152105
2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906427
5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004426
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide (CID 136906590) is N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide is CCCCCN(c1nccc(/C(N)=N/O)n1)C(C)C.
What is the InChIKey of N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
The InChIKey is BJJBFHHFVJSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-5-6-9-18(10(2)3)13-15-8-7-11(16-13)12(14)17-19/h7-8,10,19H,4-6,9H2,1-3H3,(H2,14,17).
What are the key properties of N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).