N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide

C14H22N6O — CID 136906849

IUPACN'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
SMILESCC1CN2CCCCC2CN1c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C14H22N6O/c1-10-8-19-7-3-2-4-11(19)9-20(10)14-16-6-5-12(17-14)13(15)18-21/h5-6,10-11,21H,2-4,7-9H2,1H3,(H2,15,18)
InChIKeyKDYOSLVAVZHWAE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.63
Rot. Bonds2

About N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide

N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide (PubChem CID 136906849) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
PubChem CID136906849
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
SMILESCC1CN2CCCCC2CN1c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C14H22N6O/c1-10-8-19-7-3-2-4-11(19)9-20(10)14-16-6-5-12(17-14)13(15)18-21/h5-6,10-11,21H,2-4,7-9H2,1H3,(H2,15,18)
InChIKeyKDYOSLVAVZHWAE-UHFFFAOYSA-N
XLogP0.63
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.63
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'}

Analyze N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906851
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
3-chloro-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-4-carboximidamide
CID 136739516
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboximidamide
CID 79937813
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-4-amine
CID 79930729
4-bromo-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 114904112
5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide
CID 114407032
4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid
CID 83180576
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 104540566
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide (CID 136906849) is N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide is CC1CN2CCCCC2CN1c1nccc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide?
The InChIKey is KDYOSLVAVZHWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-8-19-7-3-2-4-11(19)9-20(10)14-16-6-5-12(17-14)13(15)18-21/h5-6,10-11,21H,2-4,7-9H2,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide?
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).