N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide

C14H17N5O2 — CID 136907231

IUPACN'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(OCCCc2ccncc2)n1
InChIInChI=1S/C14H17N5O2/c1-10-9-12(13(15)19-20)18-14(17-10)21-8-2-3-11-4-6-16-7-5-11/h4-7,9,20H,2-3,8H2,1H3,(H2,15,19)
InChIKeyQWNNOGQARFBPEC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.29
Rot. Bonds6

About N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide (PubChem CID 136907231) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
PubChem CID136907231
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(OCCCc2ccncc2)n1
InChIInChI=1S/C14H17N5O2/c1-10-9-12(13(15)19-20)18-14(17-10)21-8-2-3-11-4-6-16-7-5-11/h4-7,9,20H,2-3,8H2,1H3,(H2,15,19)
InChIKeyQWNNOGQARFBPEC-UHFFFAOYSA-N
XLogP1.29
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
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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Related Compounds

2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907212
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
CID 136907221
5-bromo-N'-hydroxy-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 114892744
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carbothioamide
CID 81037735
N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
CID 137013796
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
CID 81036309
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
CID 61269144
N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 136907204

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide (CID 136907231) is N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(OCCCc2ccncc2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide?
The InChIKey is QWNNOGQARFBPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-9-12(13(15)19-20)18-14(17-10)21-8-2-3-11-4-6-16-7-5-11/h4-7,9,20H,2-3,8H2,1H3,(H2,15,19).
What are the key properties of N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136907231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).