N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide

C10H17N5O3 — CID 136906918

IUPACN'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
SMILESCOCCN(CCO)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C10H17N5O3/c1-18-7-5-15(4-6-16)10-12-3-2-8(13-10)9(11)14-17/h2-3,16-17H,4-7H2,1H3,(H2,11,14)
InChIKeyHBYBBKNEGLRFDF-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.98
Rot. Bonds7

About N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide

N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide (PubChem CID 136906918) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
PubChem CID136906918
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
SMILESCOCCN(CCO)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C10H17N5O3/c1-18-7-5-15(4-6-16)10-12-3-2-8(13-10)9(11)14-17/h2-3,16-17H,4-7H2,1H3,(H2,11,14)
InChIKeyHBYBBKNEGLRFDF-UHFFFAOYSA-N
XLogP-0.98
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
CID 137000488
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
2-[bis(2-hydroxyethyl)amino]pyrimidine-4-carbothioamide
CID 107546750
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 136986713
2-[2-methoxyethyl(pyridazin-3-yl)amino]ethanol
CID 115672575
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 136907412
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 107541800
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide (CID 136906918) is N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide is COCCN(CCO)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide?
The InChIKey is HBYBBKNEGLRFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-18-7-5-15(4-6-16)10-12-3-2-8(13-10)9(11)14-17/h2-3,16-17H,4-7H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide has a molecular weight of 255.28 g/mol, XLogP of -0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).