N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide

C13H21N5O2 — CID 168909434

IUPACN'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide
SMILESCNCCCC1(COc2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-15-7-2-4-13(5-6-13)9-20-12-16-8-3-10(17-12)11(14)18-19/h3,8,15,19H,2,4-7,9H2,1H3,(H2,14,18)
InChIKeyGZKWLRIZWKGOOZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.73
Rot. Bonds8

About N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide

N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide (PubChem CID 168909434) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide
PubChem CID168909434
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide
SMILESCNCCCC1(COc2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-15-7-2-4-13(5-6-13)9-20-12-16-8-3-10(17-12)11(14)18-19/h3,8,15,19H,2,4-7,9H2,1H3,(H2,14,18)
InChIKeyGZKWLRIZWKGOOZ-UHFFFAOYSA-N
XLogP0.73
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide (CID 168909434) is N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide is CNCCCC1(COc2nccc(/C(N)=N/O)n2)CC1.
What is the InChIKey of N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide?
The InChIKey is GZKWLRIZWKGOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-15-7-2-4-13(5-6-13)9-20-12-16-8-3-10(17-12)11(14)18-19/h3,8,15,19H,2,4-7,9H2,1H3,(H2,14,18).
What are the key properties of N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide is sourced from PubChem (CID 168909434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).