N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide

C14H23N5O — CID 136906945

IUPACN'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N2CC(C)CC(C)C2C)n1
InChIInChI=1S/C14H23N5O/c1-8-5-9(2)11(4)19(7-8)14-16-10(3)6-12(17-14)13(15)18-20/h6,8-9,11,20H,5,7H2,1-4H3,(H2,15,18)
InChIKeyQVOYARCQFVQNTN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds2

About N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 136906945) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
PubChem CID136906945
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N2CC(C)CC(C)C2C)n1
InChIInChI=1S/C14H23N5O/c1-8-5-9(2)11(4)19(7-8)14-16-10(3)6-12(17-14)13(15)18-20/h6,8-9,11,20H,5,7H2,1-4H3,(H2,15,18)
InChIKeyQVOYARCQFVQNTN-UHFFFAOYSA-N
XLogP1.75
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906821
3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593469
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
CID 136906366
2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907053
2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906910
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114597248
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930021
2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177320
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906555
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide (CID 136906945) is N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N2CC(C)CC(C)C2C)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is QVOYARCQFVQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-8-5-9(2)11(4)19(7-8)14-16-10(3)6-12(17-14)13(15)18-20/h6,8-9,11,20H,5,7H2,1-4H3,(H2,15,18).
What are the key properties of N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).