2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide

C14H17N5O — CID 136906661

IUPAC2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCN(c1ccc(C)cc1)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C14H17N5O/c1-3-19(11-6-4-10(2)5-7-11)14-16-9-8-12(17-14)13(15)18-20/h4-9,20H,3H2,1-2H3,(H2,15,18)
InChIKeyNUDLYAZGUSMTSF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.04
Rot. Bonds4

About 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide

2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906661) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906661
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCN(c1ccc(C)cc1)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C14H17N5O/c1-3-19(11-6-4-10(2)5-7-11)14-16-9-8-12(17-14)13(15)18-20/h4-9,20H,3H2,1-2H3,(H2,15,18)
InChIKeyNUDLYAZGUSMTSF-UHFFFAOYSA-N
XLogP2.04
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.04
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-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
CID 136990608
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimidine-4-carboximidamide
CID 136906918
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
CID 136986741

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide (CID 136906661) is 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide is CCN(c1ccc(C)cc1)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is NUDLYAZGUSMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-19(11-6-4-10(2)5-7-11)14-16-9-8-12(17-14)13(15)18-20/h4-9,20H,3H2,1-2H3,(H2,15,18).
What are the key properties of 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide?
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).