2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide

C11H19N5O — CID 136906348

IUPAC2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCCCN(CC)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O/c1-3-5-8-16(4-2)11-13-7-6-9(14-11)10(12)15-17/h6-7,17H,3-5,8H2,1-2H3,(H2,12,15)
InChIKeyOWLDNULGIXVHPG-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.20
Rot. Bonds6

About 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide

2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906348) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906348
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCCCN(CC)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O/c1-3-5-8-16(4-2)11-13-7-6-9(14-11)10(12)15-17/h6-7,17H,3-5,8H2,1-2H3,(H2,12,15)
InChIKeyOWLDNULGIXVHPG-UHFFFAOYSA-N
XLogP1.20
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.20
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'}

Analyze 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
CID 136906918
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906661
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
CID 165400286
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
CID 165400285
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide (CID 136906348) is 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide is CCCCN(CC)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is OWLDNULGIXVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-5-8-16(4-2)11-13-7-6-9(14-11)10(12)15-17/h6-7,17H,3-5,8H2,1-2H3,(H2,12,15).
What are the key properties of 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).