2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C13H21N5O2 — CID 136906523

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCCN(CC1CCCO1)c1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C13H21N5O2/c1-3-18(8-10-5-4-6-20-10)13-15-9(2)7-11(16-13)12(14)17-19/h7,10,19H,3-6,8H2,1-2H3,(H2,14,17)
InChIKeyATGMJHQRWBYFRO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds5

About 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906523) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136906523
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCCN(CC1CCCO1)c1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C13H21N5O2/c1-3-18(8-10-5-4-6-20-10)13-15-9(2)7-11(16-13)12(14)17-19/h7,10,19H,3-6,8H2,1-2H3,(H2,14,17)
InChIKeyATGMJHQRWBYFRO-UHFFFAOYSA-N
XLogP0.88
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
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-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76904065
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107278620
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107548268
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052982
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906555

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136906523) is 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is CCN(CC1CCCO1)c1nc(C)cc(/C(N)=N/O)n1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is ATGMJHQRWBYFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-18(8-10-5-4-6-20-10)13-15-9(2)7-11(16-13)12(14)17-19/h7,10,19H,3-6,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).