4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide

C11H19N5O2 — CID 112755662

IUPAC4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide
SMILESCCN(CCCO)c1nc(C)ncc1C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-3-16(5-4-6-17)11-9(10(12)15-18)7-13-8(2)14-11/h7,17-18H,3-6H2,1-2H3,(H2,12,15)
InChIKeyFAARKRIFAOXLNU-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.09
Rot. Bonds6

About 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide

4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide (PubChem CID 112755662) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide
PubChem CID112755662
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide
SMILESCCN(CCCO)c1nc(C)ncc1C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-3-16(5-4-6-17)11-9(10(12)15-18)7-13-8(2)14-11/h7,17-18H,3-6H2,1-2H3,(H2,12,15)
InChIKeyFAARKRIFAOXLNU-UHFFFAOYSA-N
XLogP0.09
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide?
The IUPAC name of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide (CID 112755662) is 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide.
What is the SMILES notation for 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide?
The canonical SMILES for 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide is CCN(CCCO)c1nc(C)ncc1C(N)=NO.
What is the InChIKey of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide?
The InChIKey is FAARKRIFAOXLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16(5-4-6-17)11-9(10(12)15-18)7-13-8(2)14-11/h7,17-18H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide?
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide has a molecular weight of 253.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide is sourced from PubChem (CID 112755662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).