N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide

C12H19N5O2 — CID 136906998

IUPACN'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
SMILESCC(O)C1CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C12H19N5O2/c1-8(18)9-3-6-17(7-4-9)12-14-5-2-10(15-12)11(13)16-19/h2,5,8-9,18-19H,3-4,6-7H2,1H3,(H2,13,16)
InChIKeyURMNOYHLPILHML-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.17
Rot. Bonds3

About N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide

N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide (PubChem CID 136906998) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
PubChem CID136906998
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
SMILESCC(O)C1CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C12H19N5O2/c1-8(18)9-3-6-17(7-4-9)12-14-5-2-10(15-12)11(13)16-19/h2,5,8-9,18-19H,3-4,6-7H2,1H3,(H2,13,16)
InChIKeyURMNOYHLPILHML-UHFFFAOYSA-N
XLogP0.17
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.17
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 N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide (CID 136906998) is N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide is CC(O)C1CCN(c2nccc(/C(N)=N/O)n2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
The InChIKey is URMNOYHLPILHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(18)9-3-6-17(7-4-9)12-14-5-2-10(15-12)11(13)16-19/h2,5,8-9,18-19H,3-4,6-7H2,1H3,(H2,13,16).
What are the key properties of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).